methyl 2-(4-oxidanylidene-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)benzoate

Systemtic Name: methyl 2-(4-oxidanylidene-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)benzoate Openeye Name: methyl 2-(4-oxo-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)benzoate CAS Name: 2-(4-oxo-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-oxo-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)benzoate Traditional Name: 2-(4-keto-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)benzoic acid methyl ester Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C3=CNNC3=NC2=S

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C3=CNNC3=NC2=S

InChI

InChI=1S/C13H10N4O3S/c1-20-12(19)7-4-2-3-5-9(7)17-11(18)8-6-14-16-10(8)15-13(17)21/h2-6H,1H3,(H2,14,15,16,21)