N6-(4-methylphenyl)-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(4-methylphenyl)-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(p-tolyl)-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(4-methylphenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methylphenyl)-5-nitro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-toluidino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C18H14F3N5O3 MolecularWeight: 405.33067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N5O3/c1-11-2-4-12(5-3-11)24-16-15(26(27)28)17(23-10-22-16)25-13-6-8-14(9-7-13)29-18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)