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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

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