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

Systemtic Name: 8-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C19H20N6O2S MolecularWeight: 396.4661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2S/c1-2-23-9-11-24(12-10-23)18-17(25(26)27)19(22-13-21-18)28-15-7-3-5-14-6-4-8-20-16(14)15/h3-8,13H,2,9-12H2,1H3