N4-(2-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(o-tolyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(o-toluidino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C18H14F3N5O2 MolecularWeight: 389.33127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N5O2/c1-11-5-2-3-8-14(11)25-17-15(26(27)28)16(22-10-23-17)24-13-7-4-6-12(9-13)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)