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

Systemtic Name: 3-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzonitrile CAS Name: 3-[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzonitrile Traditional Name: 3-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzonitrile Formula: C19H13N5O MolecularWeight: 327.33942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H13N5O/c20-10-14-5-4-6-15(9-14)12-23-13-21-18-17(19(23)25)11-22-24(18)16-7-2-1-3-8-16/h1-9,11,13H,12H2