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

Systemtic Name: 2-(6-oxidanylidene-1-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile Openeye Name: 2-(6-oxo-1-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile CAS Name: 2-(6-oxo-1-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile IUPAC Name: 2-(6-oxo-1-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Traditional Name: 2-(6-keto-1-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CNN(C2=NC(=O)N1CC#N)C3=CC=CC=C3

Isomeric SMILES

C1C2=CNN(C2=NC(=O)N1CC#N)C3=CC=CC=C3

InChI

InChI=1S/C13H11N5O/c14-6-7-17-9-10-8-15-18(12(10)16-13(17)19)11-4-2-1-3-5-11/h1-5,8,15H,7,9H2