methyl 5-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C12H10N4O4S/c1-19-11(18)8-3-2-6(20-8)5-21-12-14-9-7(4-13-16-9)10(17)15-12/h2-4H,5H2,1H3,(H2,13,14,15,16,17)