N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C19H12BrFN6O2 MolecularWeight: 455.239983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C19H12BrFN6O2/c20-11-6-7-16(13(21)9-11)26-19-17(27(28)29)18(23-10-24-19)25-15-5-1-4-14-12(15)3-2-8-22-14/h1-10H,(H2,23,24,25,26)