2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide Formula: C25H30ClN7O2S MolecularWeight: 528.0694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N(CCC#N)CC4=CN=CC=C4)Cl

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N(CCC#N)CC4=CN=CC=C4)Cl

InChI

InChI=1S/C25H30ClN7O2S/c26-21-15-22(31-11-13-32(14-12-31)24(35)20-6-1-2-7-20)30-25(29-21)36-18-23(34)33(10-4-8-27)17-19-5-3-9-28-16-19/h3,5,9,15-16,20H,1-2,4,6-7,10-14,17-18H2