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

Systemtic Name: 4-[[2-[(4-cyanophenyl)amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[2-(4-cyanoanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-(4-cyanoanilino)-6-(trifluoromethyl)-4-pyrimidinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[2-(4-cyanoanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[2-(4-cyanoanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile Formula: C21H15F3N6 MolecularWeight: 408.37921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)C(F)(F)F)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)C(F)(F)F)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C21H15F3N6/c1-12-7-15(11-26)8-13(2)19(12)29-18-9-17(21(22,23)24)28-20(30-18)27-16-5-3-14(10-25)4-6-16/h3-9H,1-2H3,(H2,27,28,29,30)