N-(4-methylpiperazin-1-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(4-methyl-1-piperazinyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2S/c1-23-8-10-24(11-9-23)22-17-16(25(26)27)18(21-12-20-17)28-14-6-2-4-13-5-3-7-19-15(13)14/h2-7,12H,8-11H2,1H3,(H,20,21,22)