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

Systemtic Name: 5-nitro-N6-propyl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-propyl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-propyl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-propyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(propylamino)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C14H14F3N5O2 MolecularWeight: 341.28847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3N5O2/c1-2-7-18-12-11(22(23)24)13(20-8-19-12)21-10-5-3-9(4-6-10)14(15,16)17/h3-6,8H,2,7H2,1H3,(H2,18,19,20,21)