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

Systemtic Name: 2-[4-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C25H17N5O MolecularWeight: 403.43538

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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=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H17N5O/c26-14-20-6-4-5-9-22(20)19-12-10-18(11-13-19)16-29-17-27-24-23(25(29)31)15-28-30(24)21-7-2-1-3-8-21/h1-13,15,17H,16H2