methyl 3-(7-methyl-2-methylsulfanyl-6-nitro-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl)benzoate

Systemtic Name: methyl 3-(7-methyl-2-methylsulfanyl-6-nitro-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl)benzoate Openeye Name: methyl 3-(7-methyl-2-methylsulfanyl-6-nitro-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl)benzoate CAS Name: 3-[7-methyl-2-(methylthio)-6-nitro-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-(7-methyl-2-methylsulfanyl-6-nitro-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl)benzoate Traditional Name: 3-[4-keto-7-methyl-2-(methylthio)-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl]benzoic acid methyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-8-13(21(24)25)11(9-5-4-6-10(7-9)16(23)26-2)12-14(18-8)19-17(27-3)20-15(12)22/h4-7,11H,1-3H3,(H2,18,19,20,22)