8-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S/c1-13-5-4-10-23(11-13)18-17(24(25)26)19(22-12-21-18)27-15-8-2-6-14-7-3-9-20-16(14)15/h2-3,6-9,12-13H,4-5,10-11H2,1H3