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

Systemtic Name: 4-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzenecarbonitrile Openeye Name: 4-[(Z)-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzonitrile CAS Name: 4-[(Z)-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)iminomethyl]benzonitrile IUPAC Name: 4-[(Z)-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzonitrile Traditional Name: 4-[(Z)-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzonitrile Formula: C19H12N6O MolecularWeight: 340.33818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N6O/c20-10-14-6-8-15(9-7-14)11-22-24-13-21-18-17(19(24)26)12-23-25(18)16-4-2-1-3-5-16/h1-9,11-13H/b22-11-