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

Systemtic Name: 6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H8ClN4O2S- MolecularWeight: 319.74622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-])Cl

InChI

InChI=1S/C13H9ClN4O2S/c14-8-3-1-7(2-4-8)10(19)6-21-13-16-11-9(5-15-18-11)12(20)17-13/h1-5H,6H2,(H2,15,16,17,18,20)/p-1