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

Systemtic Name: ethyl 4-oxidanylidene-5,7-diphenyl-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-oxo-5,7-diphenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-oxo-5,7-diphenyl-2-(phenylmethylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-oxo-5,7-diphenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-5,7-diphenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)N=C(N2)SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)N=C(N2)SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S/c1-2-35-28(34)23-22(20-14-8-4-9-15-20)24-26(30-25(23)21-16-10-5-11-17-21)31-29(32-27(24)33)36-18-19-12-6-3-7-13-19/h3-17,22H,2,18H2,1H3,(H2,30,31,32,33)