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

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-1-(4-benzylpiperidino)ethanone Formula: C25H32ClN5O2S MolecularWeight: 502.07188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H32ClN5O2S/c1-18-16-30(12-13-31(18)19(2)32)23-15-22(26)27-25(28-23)34-17-24(33)29-10-8-21(9-11-29)14-20-6-4-3-5-7-20/h3-7,15,18,21H,8-14,16-17H2,1-2H3