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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(1-phenylethyl)acetamide Formula: C24H30ClN5O2S MolecularWeight: 488.0453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C24H30ClN5O2S/c1-17(18-7-3-2-4-8-18)26-22(31)16-33-24-27-20(25)15-21(28-24)29-11-13-30(14-12-29)23(32)19-9-5-6-10-19/h2-4,7-8,15,17,19H,5-6,9-14,16H2,1H3,(H,26,31)