methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-cyclopropyl-4-keto-7-(3-nitrophenyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C(=O)NC(=S)N2C3CC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C(=O)NC(=S)N2C3CC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c1-27-17(24)12-8-13(9-3-2-4-11(7-9)22(25)26)19-15-14(12)16(23)20-18(28)21(15)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,20,23,28)