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

Systemtic Name: ethyl 5-(3-bromophenyl)-4-oxidanylidene-7-phenyl-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-(3-bromophenyl)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(3-bromophenyl)-4-oxo-7-phenyl-2-(phenylmethylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5-(3-bromophenyl)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-5-(3-bromophenyl)-4-keto-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C29H24BrN3O3S MolecularWeight: 574.48816

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H24BrN3O3S/c1-2-36-28(35)23-22(20-14-9-15-21(30)16-20)24-26(31-25(23)19-12-7-4-8-13-19)32-29(33-27(24)34)37-17-18-10-5-3-6-11-18/h3-16,22H,2,17H2,1H3,(H2,31,32,33,34)