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

Systemtic Name: methyl 7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-benzylsulfanyl-7-methyl-4-oxo-5-(2-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methyl-4-oxo-2-(phenylmethylthio)-5-(2-pyridinyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-7-methyl-4-oxo-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-7-methyl-5-(2-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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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=N4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C22H20N4O3S/c1-13-16(21(28)29-2)17(15-10-6-7-11-23-15)18-19(24-13)25-22(26-20(18)27)30-12-14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3,(H2,24,25,26,27)