4-[[4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Formula: C21H17F3N4O MolecularWeight: 398.38109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=NC(=NC(=C2)C(F)(F)F)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=NC(=NC(=C2)C(F)(F)F)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H17F3N4O/c1-12-8-13(2)19(14(3)9-12)29-18-10-17(21(22,23)24)27-20(28-18)26-16-6-4-15(11-25)5-7-16/h4-10H,1-3H3,(H,26,27,28)