methyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate

Systemtic Name: methyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]butyric acid methyl ester Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC(=O)C2=CNNC2=N1

Isomeric SMILES

CCC(C(=O)OC)SC1=NC(=O)C2=CNNC2=N1

InChI

InChI=1S/C10H12N4O3S/c1-3-6(9(16)17-2)18-10-12-7-5(4-11-14-7)8(15)13-10/h4,6H,3H2,1-2H3,(H2,11,12,13,14,15)