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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C25H40ClN5O2S MolecularWeight: 510.1354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C25H40ClN5O2S/c1-3-4-5-6-10-13-24(33)31-15-14-30(17-19(31)2)22-16-21(26)28-25(29-22)34-18-23(32)27-20-11-8-7-9-12-20/h16,19-20H,3-15,17-18H2,1-2H3,(H,27,32)