ethyl 7-methyl-4-oxidanylidene-5-(4-phenylmethoxyphenyl)-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-methyl-4-oxidanylidene-5-(4-phenylmethoxyphenyl)-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(4-benzyloxyphenyl)-2-benzylsulfanyl-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methyl-4-oxo-5-(4-phenylmethoxyphenyl)-2-(phenylmethylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-7-methyl-4-oxo-5-(4-phenylmethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(4-benzoxyphenyl)-2-(benzylthio)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N=C(N2)SCC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N=C(N2)SCC5=CC=CC=C5)C

InChI

InChI=1S/C31H29N3O4S/c1-3-37-30(36)25-20(2)32-28-27(29(35)34-31(33-28)39-19-22-12-8-5-9-13-22)26(25)23-14-16-24(17-15-23)38-18-21-10-6-4-7-11-21/h4-17,26H,3,18-19H2,1-2H3,(H2,32,33,34,35)