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Pyridopyrimidiner

Organiske heterocykliske forbindelser, der består af en pyridinring fusioneret med en pyrimidinring.
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Risperidon, 99%, Thermo Scientific Chemicals

CAS: 106266-06-2 Molekylær formel: C23H27FN4O2 Molekylvægt (g/mol): 410.49 InChI nøgle: RAPZEAPATHNIPO-UHFFFAOYSA-N Synonym: risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum PubChem CID: 5073 ChEBI: CHEBI:8871 IUPAC navn: 3-[2-[4-(6-fluor-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-on SMIL: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

PubChem CID 5073
Molekylvægt (g/mol) 410.49
CAS 106266-06-2
ChEBI CHEBI:8871
Synonym risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum
SMIL CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
IUPAC navn 3-[2-[4-(6-fluor-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-on
InChI nøgle RAPZEAPATHNIPO-UHFFFAOYSA-N
Molekylær formel C23H27FN4O2
5

Trametinib, TRC

CAS: 871700-17-3 Molekylær formel: C26 H23 F I N5 O4 Molekylvægt (g/mol): 615.39 Synonym: Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A IUPAC navn: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide SMIL: CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C

Molekylvægt (g/mol) 615.39
CAS 871700-17-3
Synonym Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A
SMIL CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C
IUPAC navn N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
Molekylær formel C26 H23 F I N5 O4
6

Octadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester, TRC

CAS: 1172995-13-9 Molekylær formel: C41 H61 F N4 O4 Molekylvægt (g/mol): 692.95 Synonym: Octadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl octadecanoate,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl Octadecanoate IUPAC navn: [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] octadecanoate SMIL: CCCCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45

Molekylvægt (g/mol) 692.95
CAS 1172995-13-9
Synonym Octadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl octadecanoate,3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl Octadecanoate
SMIL CCCCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45
IUPAC navn [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] octadecanoate
Molekylær formel C41 H61 F N4 O4
7

Risperidone E-Oxime, TRC

CAS: 691007-09-7 Molekylær formel: C23 H28 F2 N4 O2 Molekylvægt (g/mol): 430.49 Synonym: 3-[2-[4-[(E)-(2,4-Difluorophenyl)(hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. A (EP) IUPAC navn: 3-[2-[4-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMIL: CC1=C(CCN2CCC(CC2)\C(=N/O)\c3ccc(F)cc3F)C(=O)N4CCCCC4=N1

Molekylvægt (g/mol) 430.49
CAS 691007-09-7
Synonym 3-[2-[4-[(E)-(2,4-Difluorophenyl)(hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. A (EP)
SMIL CC1=C(CCN2CCC(CC2)\C(=N/O)\c3ccc(F)cc3F)C(=O)N4CCCCC4=N1
IUPAC navn 3-[2-[4-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molekylær formel C23 H28 F2 N4 O2
8

3-(2-Chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, TRC

CAS: 260273-82-3 Molekylær formel: C11H11ClN2O2 Molekylvægt (g/mol): 238.67 Synonym: 3-(2-Chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one IUPAC navn: 3-(2-chloroethyl)-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one SMIL: CC1=C(CCCl)C(=O)N2C=CC=C(O)C2=N1

Molekylvægt (g/mol) 238.67
CAS 260273-82-3
Synonym 3-(2-Chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
SMIL CC1=C(CCCl)C(=O)N2C=CC=C(O)C2=N1
IUPAC navn 3-(2-chloroethyl)-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
Molekylær formel C11H11ClN2O2
9

9-Hydroxy-pyrido[1,2-a]pyrimidin-4-one (~90%), TRC

CAS: 123458-49-1 Molekylær formel: C8H6N2O2 Molekylvægt (g/mol): 162.15 IUPAC navn: 9-hydroxypyrido[1,2-a]pyrimidin-4-one SMIL: OC1=CC=CN2C(=O)C=CN=C12

Molekylvægt (g/mol) 162.15
CAS 123458-49-1
SMIL OC1=CC=CN2C(=O)C=CN=C12
IUPAC navn 9-hydroxypyrido[1,2-a]pyrimidin-4-one
Molekylær formel C8H6N2O2
10

Paliperidone Palmitate, TRC

CAS: 199739-10-1 Molekylær formel: C39 H57 F N4 O4 Molekylvægt (g/mol): 664.89 Synonym: Hexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,9-Hydroxyrisperidone palmitate,Invega Sustenna,Paliperidone palmitate,RO 92670,Hexadecanoic acid 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,[2-Methyl-4-oxo-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate IUPAC navn: [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate SMIL: CCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45

Molekylvægt (g/mol) 664.89
CAS 199739-10-1
Synonym Hexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,9-Hydroxyrisperidone palmitate,Invega Sustenna,Paliperidone palmitate,RO 92670,Hexadecanoic acid 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester,[2-Methyl-4-oxo-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
SMIL CCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(=C(C)N=C12)CCN3CCC(CC3)c4noc5cc(F)ccc45
IUPAC navn [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
Molekylær formel C39 H57 F N4 O4
11

Paliperidone, TRC

CAS: 144598-75-4 Molekylær formel: C23 H27 F N4 O3 Molekylvægt (g/mol): 426.48 Synonym: (9RS)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. C (EP),9-Hydroxyrisperidone,Paliperidone,R 76477,RO 76477,4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- (9CI, ACI),1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv. (ZCI),3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (ACI),Invega,Invega Trinza IUPAC navn: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMIL: CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1

Molekylvægt (g/mol) 426.48
CAS 144598-75-4
Synonym (9RS)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. C (EP),9-Hydroxyrisperidone,Paliperidone,R 76477,RO 76477,4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- (9CI, ACI),1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv. (ZCI),3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (ACI),Invega,Invega Trinza
SMIL CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1
IUPAC navn 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molekylær formel C23 H27 F N4 O3
12

Piromidic Acid, TRC

CAS: 19562-30-2 Molekylær formel: C14 H16 N4 O3 Molekylvægt (g/mol): 288.3 Synonym: 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid,5,8-Dihydro-8-ethyl-5-oxo-2-pyrrolidinopyrido[2,3-d]pyrimidine-6-carboxylic acid,8-Ethyl-5,8-dihydro-5-oxo-2-pyrrolidinopyrido[2,3-d]pyrimidine-6-carboxylic acid,Bactramyl,Enterol,Gastrurol,NSC 291120,PD 93,Panacid,Piromidic acid,Pirudal,Purim,Pyromidic acid,Reelon,Septural,Uropir IUPAC navn: 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid SMIL: CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3

Molekylvægt (g/mol) 288.3
CAS 19562-30-2
Synonym 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid,5,8-Dihydro-8-ethyl-5-oxo-2-pyrrolidinopyrido[2,3-d]pyrimidine-6-carboxylic acid,8-Ethyl-5,8-dihydro-5-oxo-2-pyrrolidinopyrido[2,3-d]pyrimidine-6-carboxylic acid,Bactramyl,Enterol,Gastrurol,NSC 291120,PD 93,Panacid,Piromidic acid,Pirudal,Purim,Pyromidic acid,Reelon,Septural,Uropir
SMIL CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3
IUPAC navn 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
Molekylær formel C14 H16 N4 O3
13

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, TRC

CAS: 63234-80-0 Molekylær formel: C11 H15 Cl N2 O Molekylvægt (g/mol): 226.7 Synonym: Risperidone EP Impurity L IUPAC navn: 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMIL: CC1=C(CCCl)C(=O)N2CCCCC2=N1

Molekylvægt (g/mol) 226.7
CAS 63234-80-0
Synonym Risperidone EP Impurity L
SMIL CC1=C(CCCl)C(=O)N2CCCCC2=N1
IUPAC navn 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molekylær formel C11 H15 Cl N2 O
14

2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one, TRC

CAS: 1013916-37-4 Molekylær formel: C13H14ClN3O Molekylvægt (g/mol): 263.72 Synonym: 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one,2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one IUPAC navn: 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one SMIL: CC1=CC(=O)N(C2CCCC2)c3nc(Cl)ncc13

Molekylvægt (g/mol) 263.72
CAS 1013916-37-4
Synonym 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one,2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMIL CC1=CC(=O)N(C2CCCC2)c3nc(Cl)ncc13
IUPAC navn 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Molekylær formel C13H14ClN3O
15

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, TRC

CAS: 130049-82-0 Molekylær formel: C11 H15 Cl N2 O2 Molekylvægt (g/mol): 242.7 Synonym: 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one IUPAC navn: 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMIL: CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1

Molekylvægt (g/mol) 242.7
CAS 130049-82-0
Synonym 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-Chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,9-Hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
SMIL CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1
IUPAC navn 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molekylær formel C11 H15 Cl N2 O2