N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C19H12BrFN6O2 MolecularWeight: 455.239983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-])N=CC=C2

InChI

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