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

Systemtic Name: ethyl 7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-5-(4-propan-2-ylphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-(4-isopropylphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methyl-4-oxo-2-(phenylmethylthio)-5-(4-propan-2-ylphenyl)-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-propan-2-ylphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-7-methyl-5-p-cumenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(C)C)C(=O)N=C(N2)SCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(C)C)C(=O)N=C(N2)SCC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O3S/c1-5-33-26(32)21-17(4)28-24-23(22(21)20-13-11-19(12-14-20)16(2)3)25(31)30-27(29-24)34-15-18-9-7-6-8-10-18/h6-14,16,22H,5,15H2,1-4H3,(H2,28,29,30,31)