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

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-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-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]ethanone Formula: C22H28ClN5OS MolecularWeight: 446.00862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H28ClN5OS/c23-19-15-20(27-9-5-2-6-10-27)25-22(24-19)30-17-21(29)28-13-11-26(12-14-28)16-18-7-3-1-4-8-18/h1,3-4,7-8,15H,2,5-6,9-14,16-17H2