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Pyrimidiner og derivater

Aromatiske organiske forbindelser, der består af en aromatisk seksleddet ring indeholdende to ikke-tilstødende nitrogenatomer og fire carbonatomer; omfatter forbindelser afledt af pyrimidiner.

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1
Kampagner er tilgængelige

5-Fluorocytosin, 99+ %, Thermo Scientific Chemicals

CAS: 2022-85-7 Molekylær formel: C4H4FN3O Molekylvægt (g/mol): 129.09 MDL nummer: MFCD00006035,MFCD00179326,MFCD03547958 InChI nøgle: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC navn: 6-amino-5-fluor-lH-pyrimidin-2-on SMIL: NC1=C(F)C=NC(=O)N1

EDGE
MDL nummer MFCD00006035,MFCD00179326,MFCD03547958
PubChem CID 3366
Molekylvægt (g/mol) 129.09
CAS 2022-85-7
ChEBI CHEBI:5100
Synonym 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
SMIL NC1=C(F)C=NC(=O)N1
IUPAC navn 6-amino-5-fluor-lH-pyrimidin-2-on
InChI nøgle XRECTZIEBJDKEO-UHFFFAOYSA-N
Molekylær formel C4H4FN3O
2
Kampagner er tilgængelige

Thermo Scientific Chemicals Thiaminhydrochlorid, 98,5-101,5 %

CAS: 67-03-8 Molekylær formel: C12H17ClN4OS·HCl Molekylvægt (g/mol): 337.26 MDL nummer: MFCD00012780 InChI nøgle: 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 navn: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chlorid;hydrochlorid SMIL: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

EDGE
MDL nummer MFCD00012780
PubChem CID 6202
Molekylvægt (g/mol) 337.26
CAS 67-03-8
ChEBI CHEBI:49105
Synonym thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
SMIL CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
IUPAC navn 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chlorid;hydrochlorid
InChI nøgle DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molekylær formel C12H17ClN4OS·HCl
3
Kampagner er tilgængelige

Guanine, 99+%

CAS: 73-40-5 Molekylær formel: C5H5N5O Molekylvægt (g/mol): 151.13 MDL nummer: MFCD00071533 InChI nøgle: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC navn: 2-amino-3,7-dihydropurin-6-on SMIL: NC1=NC(=O)C2=C(N1)N=CN2

EDGE
MDL nummer MFCD00071533
PubChem CID 764
Molekylvægt (g/mol) 151.13
CAS 73-40-5
ChEBI CHEBI:16235
Synonym guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
SMIL NC1=NC(=O)C2=C(N1)N=CN2
IUPAC navn 2-amino-3,7-dihydropurin-6-on
InChI nøgle UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molekylær formel C5H5N5O
4

3-pyrimidin-5-ylanilin,≥ 97 %, Thermo Scientific™

CAS: 69491-59-4 Molekylær formel: C10H9N3 Molekylvægt (g/mol): 171.203 MDL nummer: MFCD06802522 InChI nøgle: DZEIKJMNXHOFHL-UHFFFAOYSA-N PubChem CID: 7162049 IUPAC navn: 3-pyrimidin-5-ylanilin SMIL: C1=CC(=CC(=C1)N)C2=CN=CN=C2

MDL nummer MFCD06802522
PubChem CID 7162049
Molekylvægt (g/mol) 171.203
CAS 69491-59-4
SMIL C1=CC(=CC(=C1)N)C2=CN=CN=C2
IUPAC navn 3-pyrimidin-5-ylanilin
InChI nøgle DZEIKJMNXHOFHL-UHFFFAOYSA-N
Molekylær formel C10H9N3
5

5,6-Diaminouracil sulfate, 95%

CAS: 42965-55-9 Molekylær formel: C4H8N4O6S Molekylvægt (g/mol): 240.19 MDL nummer: MFCD00135845 InChI nøgle: IKARJSDZQCSEJX-UHFFFAOYSA-N Synonym: 5,6-diaminopyrimidine-2,4-diol sulfate,5,6-diaminopyrimidine-2,4-diol sulphate,diaminopyrimidine-2,4-diol; sulfuric acid,4,5-diamino-2,6-dihydroxypyrimidine sulfate,5,6-diaminopyrimidine-2,4 1h,3h-dione sulfate,5,6-diaminouracil; sulfuric acid,5?6-diaminouracil sulfate,c4h6n4o2.h2so4,5,4-dihydroxypyrimidine sulfate,bis 5,6-diaminouracil sulphate PubChem CID: 319643 SMIL: OS(O)(=O)=O.NC1=C(N)C(=O)NC(=O)N1

MDL nummer MFCD00135845
PubChem CID 319643
Molekylvægt (g/mol) 240.19
CAS 42965-55-9
Synonym 5,6-diaminopyrimidine-2,4-diol sulfate,5,6-diaminopyrimidine-2,4-diol sulphate,diaminopyrimidine-2,4-diol; sulfuric acid,4,5-diamino-2,6-dihydroxypyrimidine sulfate,5,6-diaminopyrimidine-2,4 1h,3h-dione sulfate,5,6-diaminouracil; sulfuric acid,5?6-diaminouracil sulfate,c4h6n4o2.h2so4,5,4-dihydroxypyrimidine sulfate,bis 5,6-diaminouracil sulphate
SMIL OS(O)(=O)=O.NC1=C(N)C(=O)NC(=O)N1
InChI nøgle IKARJSDZQCSEJX-UHFFFAOYSA-N
Molekylær formel C4H8N4O6S
6

2-Anilinopyrimidin-5-carboxylsyre, 97%, Thermo Scientific™

CAS: 450368-25-9 Molekylær formel: C11H9N3O2 Molekylvægt (g/mol): 215.21 MDL nummer: MFCD09864415 InChI nøgle: ZPIYMRAJXNMUPE-UHFFFAOYSA-N Synonym: 2-phenylamino pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenylamino,2-anilino-5-pyrimidinecarboxylic acid,2-anilinopyrimidine-5-carboxylic acid PubChem CID: 23509722 IUPAC navn: 2-anilinopyrimidin-5-carboxylsyre SMIL: OC(=O)C1=CN=C(NC2=CC=CC=C2)N=C1

MDL nummer MFCD09864415
PubChem CID 23509722
Molekylvægt (g/mol) 215.21
CAS 450368-25-9
Synonym 2-phenylamino pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenylamino,2-anilino-5-pyrimidinecarboxylic acid,2-anilinopyrimidine-5-carboxylic acid
SMIL OC(=O)C1=CN=C(NC2=CC=CC=C2)N=C1
IUPAC navn 2-anilinopyrimidin-5-carboxylsyre
InChI nøgle ZPIYMRAJXNMUPE-UHFFFAOYSA-N
Molekylær formel C11H9N3O2
9

5-Pyrimidincarboxylsyre, 97 %, Thermo Scientific™

CAS: 4595-61-3 Molekylær formel: C5H4N2O2 Molekylvægt (g/mol): 124.10 MDL nummer: MFCD00856162 InChI nøgle: IIVUJUOJERNGQX-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid PubChem CID: 78346 IUPAC navn: pyrimidin-5-carboxylsyre SMIL: OC(=O)C1=CN=CN=C1

MDL nummer MFCD00856162
PubChem CID 78346
Molekylvægt (g/mol) 124.10
CAS 4595-61-3
Synonym 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid
SMIL OC(=O)C1=CN=CN=C1
IUPAC navn pyrimidin-5-carboxylsyre
InChI nøgle IIVUJUOJERNGQX-UHFFFAOYSA-N
Molekylær formel C5H4N2O2
10

6-chlorpyrimidin-4(3H)-on, Thermo Scientific™

CAS: 4765-77-9 Molekylær formel: C4H3ClN2O Molekylvægt (g/mol): 130.531 InChI nøgle: AXFABVAPHSWFMD-UHFFFAOYSA-N Synonym: 6-chloro-4-hydroxypyrimidine,6-chloropyrimidin-4-ol,4-chloro-6-hydroxypyrimidine,6-chloropyrimidin-4 1h-one,6-chloropyrimidin-4 3h-one,6-chloro-4-pyrimidinol,6-chloro-4 1h-pyrimidinone,4 1h-pyrimidinone, 6-chloro,6-chloro-3,4-dihydro-4-oxopyrimidine,zlchem 18 PubChem CID: 358318 IUPAC navn: 6-chlor-lH-pyrimidin-4-on SMIL: C1=C(NC=NC1=O)Cl

PubChem CID 358318
Molekylvægt (g/mol) 130.531
CAS 4765-77-9
Synonym 6-chloro-4-hydroxypyrimidine,6-chloropyrimidin-4-ol,4-chloro-6-hydroxypyrimidine,6-chloropyrimidin-4 1h-one,6-chloropyrimidin-4 3h-one,6-chloro-4-pyrimidinol,6-chloro-4 1h-pyrimidinone,4 1h-pyrimidinone, 6-chloro,6-chloro-3,4-dihydro-4-oxopyrimidine,zlchem 18
SMIL C1=C(NC=NC1=O)Cl
IUPAC navn 6-chlor-lH-pyrimidin-4-on
InChI nøgle AXFABVAPHSWFMD-UHFFFAOYSA-N
Molekylær formel C4H3ClN2O
11

4-methyl-2-phenyl-5-pyrimidincarboxylsyre, 97 %, Thermo Scientific™

CAS: 103249-79-2 Molekylær formel: C12H10N2O2 Molekylvægt (g/mol): 214.224 InChI nøgle: ZPXPNKCBUXSJFK-UHFFFAOYSA-N Synonym: 4-methyl-2-phenyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 4-methyl-2-phenyl,acmc-1c8q0,2-phenyl-4-methylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid,4-methyl-2-phenyl,4-methyl-2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 4-methyl-2-phenyl PubChem CID: 239975 IUPAC navn: 4-methyl-2-phenylpyrimidin-5-carboxylsyre SMIL: CC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2

PubChem CID 239975
Molekylvægt (g/mol) 214.224
CAS 103249-79-2
Synonym 4-methyl-2-phenyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 4-methyl-2-phenyl,acmc-1c8q0,2-phenyl-4-methylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid,4-methyl-2-phenyl,4-methyl-2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 4-methyl-2-phenyl
SMIL CC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2
IUPAC navn 4-methyl-2-phenylpyrimidin-5-carboxylsyre
InChI nøgle ZPXPNKCBUXSJFK-UHFFFAOYSA-N
Molekylær formel C12H10N2O2
12

4-(4-methoxyphenyl)pyrimidin-2-thiol,≥ 95 %, Thermo Scientific™

CAS: 175202-77-4 Molekylær formel: C11H10N2OS Molekylvægt (g/mol): 218.274 MDL nummer: MFCD00085109 InChI nøgle: KSXDNCUHISGCTF-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl pyrimidine-2-thiol,4-4-methoxyphenyl-3h-pyrimidine-2-thione,maybridge1_004759,4-4-methoxyphenyl-2-pyrimidinethiol,4-4-methoxy-phenyl-pyrimidine-2-thiol,6-4-methoxyphenyl-1h-pyrimidine-2-thione,4-4-methoxyphenyl-2-pyrimidinyl hydrosulfide PubChem CID: 2736768 IUPAC navn: 6-(4-methoxyphenyl)-1H-pyrimidin-2-thion SMIL: COC1=CC=C(C=C1)C2=CC=NC(=S)N2

MDL nummer MFCD00085109
PubChem CID 2736768
Molekylvægt (g/mol) 218.274
CAS 175202-77-4
Synonym 4-4-methoxyphenyl pyrimidine-2-thiol,4-4-methoxyphenyl-3h-pyrimidine-2-thione,maybridge1_004759,4-4-methoxyphenyl-2-pyrimidinethiol,4-4-methoxy-phenyl-pyrimidine-2-thiol,6-4-methoxyphenyl-1h-pyrimidine-2-thione,4-4-methoxyphenyl-2-pyrimidinyl hydrosulfide
SMIL COC1=CC=C(C=C1)C2=CC=NC(=S)N2
IUPAC navn 6-(4-methoxyphenyl)-1H-pyrimidin-2-thion
InChI nøgle KSXDNCUHISGCTF-UHFFFAOYSA-N
Molekylær formel C11H10N2OS
13
Kampagner er tilgængelige

Thermo Scientific Chemicals Imatinibmesylat, 98%

CAS: 220127-57-1 Molekylær formel: C30H35N7O4S Molekylvægt (g/mol): 589.72 MDL nummer: MFCD04307699 InChI nøgle: YLMAHDNUQAMNNX-UHFFFAOYSA-N Synonym: imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt PubChem CID: 123596 ChEBI: CHEBI:31690 IUPAC navn: methansulfonsyre; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamid SMIL: CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1

MDL nummer MFCD04307699
PubChem CID 123596
Molekylvægt (g/mol) 589.72
CAS 220127-57-1
ChEBI CHEBI:31690
Synonym imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt
SMIL CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1
IUPAC navn methansulfonsyre; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamid
InChI nøgle YLMAHDNUQAMNNX-UHFFFAOYSA-N
Molekylær formel C30H35N7O4S
14

Thermo Scientific Chemicals 5-ioduracil, 99 %

CAS: 696-07-1 Molekylær formel: C4H3IN2O2 Molekylvægt (g/mol): 237.98 MDL nummer: MFCD00006020 InChI nøgle: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC navn: 5-iod-1H-pyrimidin-2,4-dion SMIL: IC1=CNC(=O)NC1=O

MDL nummer MFCD00006020
PubChem CID 69672
Molekylvægt (g/mol) 237.98
CAS 696-07-1
ChEBI CHEBI:43636
Synonym 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMIL IC1=CNC(=O)NC1=O
IUPAC navn 5-iod-1H-pyrimidin-2,4-dion
InChI nøgle KSNXJLQDQOIRIP-UHFFFAOYSA-N
Molekylær formel C4H3IN2O2
15

4-chlor-5-methyl-6-phenylthieno[2,3-d]pyrimidin, 97 %, Thermo Scientific™

CAS: 306934-78-1 Molekylær formel: C13H9ClN2S Molekylvægt (g/mol): 260.74 MDL nummer: MFCD02179828 InChI nøgle: LRTKDTZXCFGPEU-UHFFFAOYSA-N Synonym: 4-chloro-5-methyl-6-phenylthieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenylthiopheno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenyl,4-chloranyl-5-methyl-6-phenyl-thieno 2,3-d pyrimidine PubChem CID: 2735772 IUPAC navn: 4-chlor-5-methyl-6-phenylthieno[2,3-d]pyrimidin SMIL: CC1=C(SC2=NC=NC(Cl)=C12)C1=CC=CC=C1

MDL nummer MFCD02179828
PubChem CID 2735772
Molekylvægt (g/mol) 260.74
CAS 306934-78-1
Synonym 4-chloro-5-methyl-6-phenylthieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenylthiopheno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenyl,4-chloranyl-5-methyl-6-phenyl-thieno 2,3-d pyrimidine
SMIL CC1=C(SC2=NC=NC(Cl)=C12)C1=CC=CC=C1
IUPAC navn 4-chlor-5-methyl-6-phenylthieno[2,3-d]pyrimidin
InChI nøgle LRTKDTZXCFGPEU-UHFFFAOYSA-N
Molekylær formel C13H9ClN2S