2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile Openeye Name: 2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile CAS Name: 2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetonitrile IUPAC Name: 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Formula: C13H9N5O MolecularWeight: 251.24346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#N

InChI

InChI=1S/C13H9N5O/c14-6-7-17-9-15-12-11(13(17)19)8-16-18(12)10-4-2-1-3-5-10/h1-5,8-9H,7H2