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

Systemtic Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[4-[4-(2-pyrimidyl)piperazino]phenyl]-2-(4-quinolylthio)ethanone Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C5=NC=CC=N5

InChI

InChI=1S/C25H23N5OS/c31-23(18-32-24-10-13-26-22-5-2-1-4-21(22)24)19-6-8-20(9-7-19)29-14-16-30(17-15-29)25-27-11-3-12-28-25/h1-13H,14-18H2