N6-(3-methoxyphenyl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxyphenyl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxyphenyl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(3-methoxyphenyl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxyphenyl)-5-nitro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(m-anisidino)-5-nitro-pyrimidin-4-yl]-[2-(trifluoromethyl)phenyl]amine Formula: C18H14F3N5O3 MolecularWeight: 405.33067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

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