2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]ethanone Formula: C22H31ClN6O3S MolecularWeight: 495.03794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C22H31ClN6O3S/c1-16(30)26-6-10-28(11-7-26)20(31)15-33-22-24-18(23)14-19(25-22)27-8-12-29(13-9-27)21(32)17-4-2-3-5-17/h14,17H,2-13,15H2,1H3