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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetonitrile Formula: C13H9N5OS MolecularWeight: 283.30846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC#N

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/h1-5,8,15H,7H2