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

Systemtic Name: 5-nitro-N6-(phenylmethyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(phenylmethyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C18H14F3N5O2 MolecularWeight: 389.33127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N5O2/c19-18(20,21)13-7-4-8-14(9-13)25-17-15(26(27)28)16(23-11-24-17)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,22,23,24,25)