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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N

InChI

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