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

Systemtic Name: N6-(4-ethoxyphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-phenetidino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C19H16F3N5O3 MolecularWeight: 419.35725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N5O3/c1-2-30-15-8-6-13(7-9-15)25-17-16(27(28)29)18(24-11-23-17)26-14-5-3-4-12(10-14)19(20,21)22/h3-11H,2H2,1H3,(H2,23,24,25,26)