8-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2S/c1-2-15-9-3-4-12-24(15)19-18(25(26)27)20(23-13-22-19)28-16-10-5-7-14-8-6-11-21-17(14)16/h5-8,10-11,13,15H,2-4,9,12H2,1H3