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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C19H28ClN5O2S MolecularWeight: 425.97592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN5O2S/c1-2-7-21-17(26)13-28-19-22-15(20)12-16(23-19)24-8-10-25(11-9-24)18(27)14-5-3-4-6-14/h12,14H,2-11,13H2,1H3,(H,21,26)