2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN5O2S/c1-15(2)7-8-23-19(28)14-30-21-24-17(22)13-18(25-21)26-9-11-27(12-10-26)20(29)16-5-3-4-6-16/h13,15-16H,3-12,14H2,1-2H3,(H,23,28)