N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C17H15ClF3N7O2 MolecularWeight: 441.79491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C17H15ClF3N7O2/c18-13-3-2-11(8-12(13)17(19,20)21)26-16-14(28(29)30)15(24-9-25-16)23-4-1-6-27-7-5-22-10-27/h2-3,5,7-10H,1,4,6H2,(H2,23,24,25,26)