2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-chloro-6-(4-pivaloylpiperazino)pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O2S/c1-12(2)20-15(25)11-27-17-21-13(19)10-14(22-17)23-6-8-24(9-7-23)16(26)18(3,4)5/h10,12H,6-9,11H2,1-5H3,(H,20,25)