2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate IUPAC Name: 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate Formula: C14H11N4O3S- MolecularWeight: 315.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)[O-]

InChI

InChI=1S/C14H12N4O3S/c1-8-2-4-9(5-3-8)18-12-10(6-15-18)13(21)17-14(16-12)22-7-11(19)20/h2-6,15H,7H2,1H3,(H,19,20)/p-1