1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone Openeye Name: 2-(4-isopropylsulfanylphenyl)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-[4-(propan-2-ylthio)phenyl]ethanone IUPAC Name: 1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone Traditional Name: 2-[4-(isopropylthio)phenyl]-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C24H33N5OS MolecularWeight: 439.61672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C24H33N5OS/c1-19(2)31-21-8-6-20(7-9-21)16-24(30)29-14-12-28(13-15-29)23-17-22(25-18-26-23)27-10-4-3-5-11-27/h6-9,17-19H,3-5,10-16H2,1-2H3