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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C16H15ClFN7O2 MolecularWeight: 391.787403

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-])Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFN7O2/c17-12-8-11(2-3-13(12)18)23-16-14(25(26)27)15(21-9-22-16)20-4-1-6-24-7-5-19-10-24/h2-3,5,7-10H,1,4,6H2,(H2,20,21,22,23)