N4-ethyl-N4-(3-methylphenyl)-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,5,6-triamine Openeye Name: N4-ethyl-N4-(m-tolyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C20H20F3N5O MolecularWeight: 403.40091

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H20F3N5O/c1-3-28(15-6-4-5-13(2)11-15)19-17(24)18(25-12-26-19)27-14-7-9-16(10-8-14)29-20(21,22)23/h4-12H,3,24H2,1-2H3,(H,25,26,27)