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

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]ethanone Formula: C29H34ClN5OS MolecularWeight: 536.13116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H34ClN5OS/c30-26-20-27(34-13-11-24(12-14-34)19-23-7-3-1-4-8-23)32-29(31-26)37-22-28(36)35-17-15-33(16-18-35)21-25-9-5-2-6-10-25/h1-10,20,24H,11-19,21-22H2