2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-homoveratryl-N-methyl-acetamide Formula: C27H36ClN5O4S MolecularWeight: 562.12384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C27H36ClN5O4S/c1-31(11-10-19-8-9-21(36-2)22(16-19)37-3)25(34)18-38-27-29-23(28)17-24(30-27)32-12-14-33(15-13-32)26(35)20-6-4-5-7-20/h8-9,16-17,20H,4-7,10-15,18H2,1-3H3