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

Systemtic Name: N6-(4-butylphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C21H20F3N5O2 MolecularWeight: 431.41101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N5O2/c1-2-3-5-14-8-10-16(11-9-14)27-19-18(29(30)31)20(26-13-25-19)28-17-7-4-6-15(12-17)21(22,23)24/h4,6-13H,2-3,5H2,1H3,(H2,25,26,27,28)