ethanoic acid; methyl 1-cyclopropyl-7-(furan-2-yl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethanoic acid; methyl 1-cyclopropyl-7-(furan-2-yl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: acetic acid; methyl 1-cyclopropyl-7-(2-furyl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: acetic acid; 1-cyclopropyl-7-(2-furanyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: acetic acid; methyl 1-cyclopropyl-7-(furan-2-yl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: acetic acid; 1-cyclopropyl-7-(2-furyl)-4-keto-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)C1=CC(=NC2=C1C(=O)NC(=S)N2C3CC3)C4=CC=CO4

Isomeric SMILES

CC(=O)O.COC(=O)C1=CC(=NC2=C1C(=O)NC(=S)N2C3CC3)C4=CC=CO4

InChI

InChI=1S/C16H13N3O4S.C2H4O2/c1-22-15(21)9-7-10(11-3-2-6-23-11)17-13-12(9)14(20)18-16(24)19(13)8-4-5-8;1-2(3)4/h2-3,6-8H,4-5H2,1H3,(H,18,20,24);1H3,(H,3,4)