2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-pivaloyl-piperazino)pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C22H36ClN5O2S MolecularWeight: 470.07154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C(C)(C)C

InChI

InChI=1S/C22H36ClN5O2S/c1-6-7-8-9-10-24-19(29)15-31-21-25-17(23)13-18(26-21)27-11-12-28(16(2)14-27)20(30)22(3,4)5/h13,16H,6-12,14-15H2,1-5H3,(H,24,29)