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

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1-benzyl-4-piperidyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(1-benzyl-4-piperidyl)acetamide Formula: C25H33ClN6O2S MolecularWeight: 517.08652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H33ClN6O2S/c1-18-15-31(12-13-32(18)19(2)33)23-14-22(26)28-25(29-23)35-17-24(34)27-21-8-10-30(11-9-21)16-20-6-4-3-5-7-20/h3-7,14,18,21H,8-13,15-17H2,1-2H3,(H,27,34)