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

Systemtic Name: 2-[[1-(3-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate IUPAC Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[1-(3-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetate Formula: C13H8ClN4O3S- MolecularWeight: 335.74562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4O3S/c14-7-2-1-3-8(4-7)18-11-9(5-15-18)12(21)17-13(16-11)22-6-10(19)20/h1-5,15H,6H2,(H,19,20)/p-1