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

Systemtic Name: N4-(3-methoxyphenyl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(3-methoxyphenyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(3-methoxyphenyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(m-anisidino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C18H14F3N5O4 MolecularWeight: 421.33007

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H14F3N5O4/c1-29-14-4-2-3-12(9-14)25-17-15(26(27)28)16(22-10-23-17)24-11-5-7-13(8-6-11)30-18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)