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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile CAS Name: 2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Traditional Name: 2-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Formula: C15H13N5O MolecularWeight: 279.29662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O/c1-10-3-4-12(7-11(10)2)20-14-13(8-18-20)15(21)19(6-5-16)9-17-14/h3-4,7-9H,6H2,1-2H3