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

Systemtic Name: 5-bromanyl-8-[6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN5O3/c1-12-5-2-3-10-24(12)18-17(25(26)27)19(23-11-22-18)28-15-8-7-14(20)13-6-4-9-21-16(13)15/h4,6-9,11-12H,2-3,5,10H2,1H3