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

Systemtic Name: 5-nitro-N6-phenethyl-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenethyl-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-phenethyl-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-phenethyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(phenethylamino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C19H16F3N5O3 MolecularWeight: 419.35725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H16F3N5O3/c20-19(21,22)30-15-8-6-14(7-9-15)26-18-16(27(28)29)17(24-12-25-18)23-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,23,24,25,26)