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

Systemtic Name: N6-(4-butoxyphenyl)-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-5-nitro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C21H20F3N5O4 MolecularWeight: 463.40981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N5O4/c1-2-3-12-32-16-8-4-14(5-9-16)27-19-18(29(30)31)20(26-13-25-19)28-15-6-10-17(11-7-15)33-21(22,23)24/h4-11,13H,2-3,12H2,1H3,(H2,25,26,27,28)