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

Systemtic Name: N4-(4-butoxyphenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-5-nitro-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C21H20F3N5O3 MolecularWeight: 447.41041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O3/c1-2-3-12-32-17-10-8-16(9-11-17)28-20-18(29(30)31)19(25-13-26-20)27-15-6-4-14(5-7-15)21(22,23)24/h4-11,13H,2-3,12H2,1H3,(H2,25,26,27,28)