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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(1-phenylethyl)acetamide Formula: C26H34ClN5O2S MolecularWeight: 516.09846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC(C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC(C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H34ClN5O2S/c1-18-16-31(13-14-32(18)25(34)21-11-7-4-8-12-21)23-15-22(27)29-26(30-23)35-17-24(33)28-19(2)20-9-5-3-6-10-20/h3,5-6,9-10,15,18-19,21H,4,7-8,11-14,16-17H2,1-2H3,(H,28,33)