2-[4-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]piperazino]ethanol Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c26-12-11-23-7-9-24(10-8-23)18-17(25(27)28)19(22-13-21-18)29-15-5-1-3-14-4-2-6-20-16(14)15/h1-6,13,26H,7-12H2