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Thermo Scientific Acros Phthalic Anhydride, 99%

CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12

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Specifications

Oxacyclic compounds

PubChem CID	6811
CAS	85-44-9
Molecular Weight (g/mol)	148.12
ChEBI	CHEBI:36605
MDL Number	MFCD00005918
SMILES	O=C1OC(=O)C2=CC=CC=C12
Synonym	phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen
InChI Key	LGRFSURHDFAFJT-UHFFFAOYSA-N
Molecular Formula	C8H4O3

Thermo Scientific Acros Neocuproine Hydrochloride Monohydrate, 99%

CAS: 303136-82-5 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00150062 InChI Key: IYRGXJIJGHOCFS-UHFFFAOYSA-N Synonym: 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % PubChem CID: 2723838 IUPAC Name: 2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride SMILES: CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1

Pricing and Availability
Specifications

Phenanthrolines

PubChem CID	2723838
CAS	303136-82-5
Molecular Weight (g/mol)	208.26
MDL Number	MFCD00150062
SMILES	CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1
Synonym	2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 %
IUPAC Name	2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride
InChI Key	IYRGXJIJGHOCFS-UHFFFAOYSA-N
Molecular Formula	C14H12N2

Thermo Scientific Chemicals Cyanocobalamin, 96%

CAS: 68-19-9 Molecular Formula: C₆₃H₈₈CoN₁₄O₁₄P Molecular Weight (g/mol): 1355.38 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]

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Specifications

Tetrapyrroles and derivatives

PubChem CID	129893524
CAS	68-19-9
Molecular Weight (g/mol)	1355.38
MDL Number	MFCD00151092
SMILES	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
Synonym	vitamin b12
IUPAC Name	cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-
InChI Key	AGVAZMGAQJOSFJ-WZHZPDAFSA-M
Molecular Formula	C₆₃H₈₈CoN₁₄O₁₄P

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

Pricing and Availability
Specifications

Thiazoles

PubChem CID	64965
CAS	298-93-1
Molecular Weight (g/mol)	414.33
ChEBI	CHEBI:53233
MDL Number	MFCD00011964,MFCD00066662
SMILES	[Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym	thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name	2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key	AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula	C18H16BrN5S

Thermo Scientific Alfa Aesar Pyridoxine hydrochloride, 99%

CAS: 58-56-0 Molecular Formula: C8H12ClNO3 Molecular Weight (g/mol): 205.638 MDL Number: MFCD00012807 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N Synonym: pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion PubChem CID: 6019 ChEBI: CHEBI:30961 IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl

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Specifications

Pyridines and derivatives

PubChem CID	6019
CAS	58-56-0
Molecular Weight (g/mol)	205.638
ChEBI	CHEBI:30961
MDL Number	MFCD00012807
SMILES	CC1=NC=C(C(=C1O)CO)CO.Cl
Synonym	pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion
IUPAC Name	4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
InChI Key	ZUFQODAHGAHPFQ-UHFFFAOYSA-N
Molecular Formula	C8H12ClNO3

Thermo Scientific Alfa Aesar Hemin (porcine), 97+%

CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C

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Specifications

Tetrapyrroles and derivatives

PubChem CID	131675604
CAS	16009-13-5
Molecular Weight (g/mol)	651.95
MDL Number	MFCD00010726
SMILES	CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
Synonym	chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin
IUPAC Name	3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid
InChI Key	BTIJJDXEELBZFS-HXFTUNQESA-K
Molecular Formula	C34H32ClFeN4O4

Thermo Scientific Acros epsilon-Caprolactone monomer, 99%

CAS: 502-44-3 MDL Number: MFCD00003267 InChI Key: PAPBSGBWRJIAAV-UHFFFAOYSA-N Synonym: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 IUPAC Name: oxepan-2-one SMILES: C1CCC(=O)OCC1

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Specifications

Oxepanes

PubChem CID	10401
CAS	502-44-3
ChEBI	CHEBI:17915
MDL Number	MFCD00003267
SMILES	C1CCC(=O)OCC1
Synonym	6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane
IUPAC Name	oxepan-2-one
InChI Key	PAPBSGBWRJIAAV-UHFFFAOYSA-N

Thermo Scientific Alfa Aesar Disuccinimidyl glutarate, 97%

CAS: 79642-50-5 Molecular Formula: C13H14N2O8 Molecular Weight (g/mol): 326.26 MDL Number: MFCD00153597 InChI Key: LNQHREYHFRFJAU-UHFFFAOYSA-N Synonym: disuccinimidyl glutarate,di n-succinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl pentanedioate,pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester,dsg crosslinker,glutaric acid disuccinimidyl ester,di n-hydroxysuccinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl glutarate,di n-succinimidyl glutarate chn PubChem CID: 4432628 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) pentanedioate SMILES: O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

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Specifications

Pyrrolidines

PubChem CID	4432628
CAS	79642-50-5
Molecular Weight (g/mol)	326.26
MDL Number	MFCD00153597
SMILES	O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
Synonym	disuccinimidyl glutarate,di n-succinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl pentanedioate,pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester,dsg crosslinker,glutaric acid disuccinimidyl ester,di n-hydroxysuccinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl glutarate,di n-succinimidyl glutarate chn
IUPAC Name	bis(2,5-dioxopyrrolidin-1-yl) pentanedioate
InChI Key	LNQHREYHFRFJAU-UHFFFAOYSA-N
Molecular Formula	C13H14N2O8

Thermo Scientific Alfa Aesar 5-Fluorocytosine, 98+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 SMILES: NC1=C(F)C=NC(=O)N1

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Specifications

Pyrimidines And Derivatives

PubChem CID	3366
CAS	2022-85-7
Molecular Weight (g/mol)	129.09
ChEBI	CHEBI:5100
MDL Number	MFCD00006035,MFCD00179326,MFCD03547958
SMILES	NC1=C(F)C=NC(=O)N1
Synonym	5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula	C4H4FN3O

Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C₁₂H₁₇ClN₄OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Pricing and Availability
Specifications

Pyrimidines And Derivatives

PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.26
ChEBI	CHEBI:49105
MDL Number	MFCD00012780
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula	C₁₂H₁₇ClN₄OS·HCl

Thermo Scientific Alfa Aesar Imidazole, 99%

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

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Specifications

Heteroaromatic compounds

PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

Thermo Scientific Alfa Aesar D-(+)-Biotin, 98+%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

Pricing and Availability
Specifications

Biotin and derivatives

PubChem CID	171548
CAS	58-85-5
Molecular Weight (g/mol)	244.31
ChEBI	CHEBI:15956
MDL Number	MFCD00005541
SMILES	OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym	biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key	YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula	C10H16N2O3S

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

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Specifications

Pyrimidines And Derivatives

PubChem CID	1174
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
MDL Number	MFCD00006016
SMILES	O=C1NC=CC(=O)N1
Synonym	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

Thermo Scientific Chemicals Levamisole hydrochloride, 99+%

CAS: 16595-80-5 Molecular Formula: C₁₁H₁₂N₂S·ClH Molecular Weight (g/mol): 240.76 MDL Number: MFCD00012675 InChI Key: LAZPBGZRMVRFKY-HNCPQSOCSA-N Synonym: levamisole hydrochloride,levamisole hcl,ergamisol,tramisol,tramisole,decaris,--tetramisole hydrochloride,niratic hydrochloride,ascaridil,dekaris PubChem CID: 27944 ChEBI: CHEBI:6433 IUPAC Name: (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride SMILES: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl

Pricing and Availability
Specifications

Imidazothiazoles

PubChem CID	27944
CAS	16595-80-5
Molecular Weight (g/mol)	240.76
ChEBI	CHEBI:6433
MDL Number	MFCD00012675
SMILES	C1CSC2=NC(CN21)C3=CC=CC=C3.Cl
Synonym	levamisole hydrochloride,levamisole hcl,ergamisol,tramisol,tramisole,decaris,--tetramisole hydrochloride,niratic hydrochloride,ascaridil,dekaris
IUPAC Name	(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
InChI Key	LAZPBGZRMVRFKY-HNCPQSOCSA-N
Molecular Formula	C₁₁H₁₂N₂S·ClH

Thermo Scientific Alfa Aesar Caffeine, 99.7%

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

Pricing and Availability
Specifications

Imidazopyrimidines

PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name	1,3,7-trimethylpurine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

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