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

Systemtic Name: 2-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C20H15N5O MolecularWeight: 341.366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H15N5O/c1-24-19-18(11-23-24)20(26)25(13-22-19)12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)10-21/h2-9,11,13H,12H2,1H3