2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]acetamide Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C21H32ClN5O2S/c1-2-3-6-9-23-19(28)15-30-21-24-17(22)14-18(25-21)26-10-12-27(13-11-26)20(29)16-7-4-5-8-16/h14,16H,2-13,15H2,1H3,(H,23,28)