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

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[1-(3,4-dimethylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate IUPAC Name: 2-[[1-(3,4-dimethylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[1-(3,4-dimethylphenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate Formula: C15H13N4O3S- MolecularWeight: 329.35372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O3S/c1-8-3-4-10(5-9(8)2)19-13-11(6-16-19)14(22)18-15(17-13)23-7-12(20)21/h3-6,16H,7H2,1-2H3,(H,20,21)/p-1