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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C26H36ClN5O2S MolecularWeight: 518.11434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C26H36ClN5O2S/c1-4-5-6-7-8-9-25(34)32-15-14-31(17-20(32)3)23-16-22(27)29-26(30-23)35-18-24(33)28-21-12-10-19(2)11-13-21/h10-13,16,20H,4-9,14-15,17-18H2,1-3H3,(H,28,33)