4-[(E)-2-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)vinyl]benzonitrile CAS Name: 4-[(E)-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)ethenyl]benzonitrile Traditional Name: 4-[(E)-2-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)vinyl]benzonitrile Formula: C20H13N5O MolecularWeight: 339.35012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)C=CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)/C=C/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13N5O/c21-12-15-8-6-14(7-9-15)10-11-18-23-19-17(20(26)24-18)13-22-25(19)16-4-2-1-3-5-16/h1-11,13,22H/b11-10+