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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-dimethylpropyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide Traditional Name: 2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(1,2-dimethylpropyl)acetamide Formula: C24H40ClN5O2S MolecularWeight: 498.1247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40ClN5O2S/c1-6-7-8-9-10-11-23(32)30-13-12-29(15-18(30)4)21-14-20(25)27-24(28-21)33-16-22(31)26-19(5)17(2)3/h14,17-19H,6-13,15-16H2,1-5H3,(H,26,31)