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

Systemtic Name: 2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyethanenitrile Openeye Name: 2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetonitrile CAS Name: 2-[[1-phenyl-6-(trifluoromethyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]acetonitrile IUPAC Name: 2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetonitrile Traditional Name: 2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetonitrile Formula: C14H8F3N5O MolecularWeight: 319.24143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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