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

Systemtic Name: 4-[[1-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(4-methoxyphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile CAS Name: 4-[[1-(4-methoxyphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[[1-(4-methoxyphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 4-[[4-keto-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5O2/c1-27-17-8-6-16(7-9-17)25-19-18(11-23-25)20(26)24(13-22-19)12-15-4-2-14(10-21)3-5-15/h2-9,11,13H,12H2,1H3