N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C19H14F3N5O4 MolecularWeight: 433.34077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H14F3N5O4/c20-19(21,22)12-2-1-3-13(7-12)26-18-16(27(28)29)17(24-9-25-18)23-8-11-4-5-14-15(6-11)31-10-30-14/h1-7,9H,8,10H2,(H2,23,24,25,26)