2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]ethanone Formula: C21H25Cl2N5OS MolecularWeight: 466.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H25Cl2N5OS/c22-16-5-4-6-17(13-16)26-9-11-28(12-10-26)20(29)15-30-21-24-18(23)14-19(25-21)27-7-2-1-3-8-27/h4-6,13-14H,1-3,7-12,15H2