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

Systemtic Name: 2-[4-oxidanylidene-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[4-oxo-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile CAS Name: 2-[4-oxo-1-phenyl-6-(trifluoromethyl)-5-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Formula: C14H8F3N5O MolecularWeight: 319.24143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8F3N5O/c15-14(16,17)13-20-11-10(12(23)21(13)7-6-18)8-19-22(11)9-4-2-1-3-5-9/h1-5,8H,7H2