6-(cyanomethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-(cyanomethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(cyanomethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-(cyanomethylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 6-(cyanomethylsulfanyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-(cyanomethylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H8N5OS- MolecularWeight: 282.30052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC#N)[O-]

InChI

InChI=1S/C13H9N5OS/c14-6-7-20-13-16-11-10(12(19)17-13)8-15-18(11)9-4-2-1-3-5-9/h1-5,8H,7H2,(H,16,17,19)/p-1