6-(5-bromanylquinolin-8-yl)oxy-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C18H18BrN7O3 MolecularWeight: 460.28462

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN7O3/c1-24-7-9-25(10-8-24)23-17-16(26(27)28)18(22-11-21-17)29-14-5-4-13(19)12-3-2-6-20-15(12)14/h2-6,11H,7-10H2,1H3,(H,21,22,23)