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

Systemtic Name: 2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C23H36ClN5O2S MolecularWeight: 482.08224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C23H36ClN5O2S/c1-16-14-28(10-11-29(16)21(31)13-23(2,3)4)19-12-18(24)26-22(27-19)32-15-20(30)25-17-8-6-5-7-9-17/h12,16-17H,5-11,13-15H2,1-4H3,(H,25,30)