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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C22H34ClN5O2S MolecularWeight: 468.05566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

InChI

InChI=1S/C22H34ClN5O2S/c1-3-4-5-6-7-8-21(30)28-12-11-27(14-16(28)2)19-13-18(23)25-22(26-19)31-15-20(29)24-17-9-10-17/h13,16-17H,3-12,14-15H2,1-2H3,(H,24,29)