2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]ethanone Formula: C23H29ClN4OS MolecularWeight: 445.02056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H29ClN4OS/c24-20-16-21(27-11-5-2-6-12-27)26-23(25-20)30-17-22(29)28-13-9-19(10-14-28)15-18-7-3-1-4-8-18/h1,3-4,7-8,16,19H,2,5-6,9-15,17H2