2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile CAS Name: 2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Formula: C14H11N5O MolecularWeight: 265.27004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O/c1-10-2-4-11(5-3-10)19-13-12(8-17-19)14(20)18(7-6-15)9-16-13/h2-5,8-9H,7H2,1H3