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

Systemtic Name: N6-(4-methoxyphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(4-methoxyphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(4-methoxyphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methoxyphenyl)-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: (4-methoxyphenyl)-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C18H14F3N5O3 MolecularWeight: 405.33067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N5O3/c1-29-14-7-5-12(6-8-14)24-16-15(26(27)28)17(23-10-22-16)25-13-4-2-3-11(9-13)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)