methyl 7-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 7-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 7-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-oxo-1H-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 7-(1,3-benzodioxol-5-yl)-2-(methylthio)-4-oxo-1H-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-oxo-1H-pyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 7-(1,3-benzodioxol-5-yl)-4-keto-2-(methylthio)-1H-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C(=O)N=C(N2)SC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C(=O)N=C(N2)SC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13N3O5S/c1-23-16(22)9-6-10(8-3-4-11-12(5-8)25-7-24-11)18-14-13(9)15(21)20-17(19-14)26-2/h3-6H,7H2,1-2H3,(H,18,19,20,21)