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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C22H25ClFN5O2S MolecularWeight: 477.982603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H25ClFN5O2S/c23-18-13-19(28-9-11-29(12-10-28)21(31)15-3-1-2-4-15)27-22(26-18)32-14-20(30)25-17-7-5-16(24)6-8-17/h5-8,13,15H,1-4,9-12,14H2,(H,25,30)