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

Systemtic Name: N6-(4-ethoxyphenyl)-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-5-nitro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-phenetidino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C19H16F3N5O4 MolecularWeight: 435.35665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N5O4/c1-2-30-14-7-3-12(4-8-14)25-17-16(27(28)29)18(24-11-23-17)26-13-5-9-15(10-6-13)31-19(20,21)22/h3-11H,2H2,1H3,(H2,23,24,25,26)