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

Systemtic Name: methyl 5-(3-bromophenyl)-7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-benzylsulfanyl-5-(3-bromophenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(3-bromophenyl)-7-methyl-4-oxo-2-(phenylmethylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-5-(3-bromophenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-5-(3-bromophenyl)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)OC

InChI

InChI=1S/C23H20BrN3O3S/c1-13-17(22(29)30-2)18(15-9-6-10-16(24)11-15)19-20(25-13)26-23(27-21(19)28)31-12-14-7-4-3-5-8-14/h3-11,18H,12H2,1-2H3,(H2,25,26,27,28)