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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C18H13ClF3N5O3 MolecularWeight: 439.77573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N5O3/c1-30-12-4-2-3-10(7-12)25-16-15(27(28)29)17(24-9-23-16)26-11-5-6-14(19)13(8-11)18(20,21)22/h2-9H,1H3,(H2,23,24,25,26)