1-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-quinolin-1-yl]sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-quinolin-1-yl]sulfanyl]ethanone Openeye Name: 1-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-quinolin-1-yl]sulfanyl]ethanone CAS Name: 1-phenyl-2-[[2-[4-(2-pyrimidinyl)-1-piperazinyl]-4H-quinolin-1-yl]thio]ethanone IUPAC Name: 1-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-quinolin-1-yl]sulfanyl]ethanone Traditional Name: 1-phenyl-2-[[2-[4-(2-pyrimidyl)piperazino]-4H-quinolin-1-yl]thio]ethanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CCC3=CC=CC=C3N2SCC(=O)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CCC3=CC=CC=C3N2SCC(=O)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5OS/c31-23(21-8-2-1-3-9-21)19-32-30-22-10-5-4-7-20(22)11-12-24(30)28-15-17-29(18-16-28)25-26-13-6-14-27-25/h1-10,12-14H,11,15-19H2