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

Systemtic Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-5-nitro-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C19H16F3N5O4 MolecularWeight: 435.35665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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