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

Systemtic Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-5-nitro-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-[2-(trifluoromethyl)phenyl]amine Formula: C19H16F3N5O2 MolecularWeight: 403.35785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C19H16F3N5O2/c1-11-7-12(2)9-13(8-11)25-17-16(27(28)29)18(24-10-23-17)26-15-6-4-3-5-14(15)19(20,21)22/h3-10H,1-2H3,(H2,23,24,25,26)