N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C18H13ClF3N5O2 MolecularWeight: 423.77633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N5O2/c1-10-5-6-12(19)8-14(10)26-17-15(27(28)29)16(23-9-24-17)25-13-4-2-3-11(7-13)18(20,21)22/h2-9H,1H3,(H2,23,24,25,26)