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

Systemtic Name: propan-2-yl 5-(3-bromophenyl)-7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O3S/c1-14(2)32-24(31)19-15(3)27-22-21(20(19)17-10-7-11-18(26)12-17)23(30)29-25(28-22)33-13-16-8-5-4-6-9-16/h4-12,14,20H,13H2,1-3H3,(H2,27,28,29,30)