methyl 1-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-29-20(26)14-7-10-24(11-8-14)18-17(25(27)28)19(23-12-22-18)30-15-6-2-4-13-5-3-9-21-16(13)15/h2-6,9,12,14H,7-8,10-11H2,1H3