2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isobutyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-isobutyl-acetamide Formula: C18H26ClN5O2S MolecularWeight: 411.94934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H26ClN5O2S/c1-12(2)10-20-16(25)11-27-18-21-14(19)9-15(22-18)23-5-7-24(8-6-23)17(26)13-3-4-13/h9,12-13H,3-8,10-11H2,1-2H3,(H,20,25)