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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C30H41ClN6O2S MolecularWeight: 585.20354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H41ClN6O2S/c1-22-19-36(16-17-37(22)29(39)24-10-6-3-7-11-24)27-18-26(31)33-30(34-27)40-21-28(38)32-25-12-14-35(15-13-25)20-23-8-4-2-5-9-23/h2,4-5,8-9,18,22,24-25H,3,6-7,10-17,19-21H2,1H3,(H,32,38)