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

Systemtic Name: N4-naphthalen-1-yl-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(1-naphthyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(1-naphthalenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-naphthalen-1-yl-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 1-naphthyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C21H14F3N5O2 MolecularWeight: 425.36337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N5O2/c22-21(23,24)14-7-4-8-15(11-14)27-19-18(29(30)31)20(26-12-25-19)28-17-10-3-6-13-5-1-2-9-16(13)17/h1-12H,(H2,25,26,27,28)