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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-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)CC(C)C

Isomeric SMILES

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

InChI

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