methyl 7-methyl-2-methylsulfanyl-5-(5-nitro-2-oxidanyl-phenyl)-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 7-methyl-2-methylsulfanyl-5-(5-nitro-2-oxidanyl-phenyl)-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(2-hydroxy-5-nitro-phenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(2-hydroxy-5-nitrophenyl)-7-methyl-2-(methylthio)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-hydroxy-5-nitrophenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(2-hydroxy-5-nitro-phenyl)-4-keto-7-methyl-2-(methylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)NC(=NC2=O)SC)C3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)NC(=NC2=O)SC)C3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C17H16N4O6S/c1-7-11(16(24)27-2)12(9-6-8(21(25)26)4-5-10(9)22)13-14(18-7)19-17(28-3)20-15(13)23/h4-6,12,22H,1-3H3,(H2,18,19,20,23)