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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]acetamide Formula: C21H34ClN5O2S MolecularWeight: 456.04496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN5O2S/c1-5-6-7-8-23-19(28)14-30-21-24-17(22)12-18(25-21)26-9-10-27(16(4)13-26)20(29)11-15(2)3/h12,15-16H,5-11,13-14H2,1-4H3,(H,23,28)