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

Systemtic Name: 5-bromanyl-8-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O3/c1-2-13-6-3-4-11-25(13)19-18(26(27)28)20(24-12-23-19)29-16-9-8-15(21)14-7-5-10-22-17(14)16/h5,7-10,12-13H,2-4,6,11H2,1H3