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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(2-pyridylmethyl)acetamide Formula: C22H27ClN6O2S MolecularWeight: 475.00678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=N4)Cl

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C22H27ClN6O2S/c23-18-13-19(28-9-11-29(12-10-28)21(31)16-5-1-2-6-16)27-22(26-18)32-15-20(30)25-14-17-7-3-4-8-24-17/h3-4,7-8,13,16H,1-2,5-6,9-12,14-15H2,(H,25,30)