2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C24H31ClN6O2S MolecularWeight: 503.05994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=N4)Cl

InChI

InChI=1S/C24H31ClN6O2S/c1-17-15-30(12-13-31(17)23(33)18-6-2-3-7-18)21-14-20(25)28-24(29-21)34-16-22(32)27-11-9-19-8-4-5-10-26-19/h4-5,8,10,14,17-18H,2-3,6-7,9,11-13,15-16H2,1H3,(H,27,32)