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

Systemtic Name: 8-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O2S/c1-22-8-10-23(11-9-22)17-16(24(25)26)18(21-12-20-17)27-14-6-2-4-13-5-3-7-19-15(13)14/h2-7,12H,8-11H2,1H3