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

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-chloro-6-(4-pivaloylpiperazino)pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C21H32ClN5O2S/c1-21(2,3)19(29)27-11-9-26(10-12-27)17-13-16(22)24-20(25-17)30-14-18(28)23-15-7-5-4-6-8-15/h13,15H,4-12,14H2,1-3H3,(H,23,28)