5-bromanyl-8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxy-quinoline Formula: C22H18BrN7O3 MolecularWeight: 508.32742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN7O3/c23-16-6-7-17(19-15(16)4-3-9-25-19)33-22-20(30(31)32)21(26-14-27-22)29-12-10-28(11-13-29)18-5-1-2-8-24-18/h1-9,14H,10-13H2