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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C22H34ClN5O2S MolecularWeight: 468.05566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN5O2S/c1-15(2)11-21(30)28-10-9-27(13-16(28)3)19-12-18(23)25-22(26-19)31-14-20(29)24-17-7-5-4-6-8-17/h12,15-17H,4-11,13-14H2,1-3H3,(H,24,29)