2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile

Systemtic Name: 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile Openeye Name: 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetonitrile IUPAC Name: 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Traditional Name: 2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Formula: C14H11N5O MolecularWeight: 265.27004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC#N

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC#N

InChI

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