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

Systemtic Name: 2-[[1-(4-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[1-(4-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C13H10ClN5O2S MolecularWeight: 335.7688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N)Cl

InChI

InChI=1S/C13H10ClN5O2S/c14-7-1-3-8(4-2-7)19-11-9(5-16-19)12(21)18-13(17-11)22-6-10(15)20/h1-5,16H,6H2,(H2,15,20)