4,5-dimethoxy-2-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4,5-dimethoxy-2-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4,5-dimethoxy-2-[[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile CAS Name: 4,5-dimethoxy-2-[[2-(3-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 4,5-dimethoxy-2-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 4,5-dimethoxy-2-[[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile Formula: C19H14F3N5O2 MolecularWeight: 401.34197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3)OC

InChI

InChI=1S/C19H14F3N5O2/c1-28-14-6-12(9-23)13(7-15(14)29-2)25-17-8-16(19(20,21)22)26-18(27-17)11-4-3-5-24-10-11/h3-8,10H,1-2H3,(H,25,26,27)