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

Systemtic Name: N4-naphthalen-1-yl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(1-naphthyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(1-naphthalenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-naphthalen-1-yl-5-nitro-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 1-naphthyl-[5-nitro-6-[4-(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=C(C=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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