N-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C19H11BrFN5O2S MolecularWeight: 472.290343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F)N=CC=C2

InChI

InChI=1S/C19H11BrFN5O2S/c20-12-6-7-14(13(21)9-12)25-18-17(26(27)28)19(24-10-23-18)29-15-5-1-3-11-4-2-8-22-16(11)15/h1-10H,(H,23,24,25)