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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C24H29ClFN5O2S MolecularWeight: 506.035763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C24H29ClFN5O2S/c1-16-14-30(10-11-31(16)23(33)18-4-2-3-5-18)21-12-20(25)28-24(29-21)34-15-22(32)27-13-17-6-8-19(26)9-7-17/h6-9,12,16,18H,2-5,10-11,13-15H2,1H3,(H,27,32)