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

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-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-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]ethanone Formula: C28H32ClN5OS MolecularWeight: 522.10458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H32ClN5OS/c29-24-20-25(32-14-8-3-9-15-32)31-28(30-24)36-21-26(35)33-16-18-34(19-17-33)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,20,27H,3,8-9,14-19,21H2