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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O2S/c1-5-6-20-15(25)12-27-17-21-13(19)11-14(22-17)23-7-9-24(10-8-23)16(26)18(2,3)4/h11H,5-10,12H2,1-4H3,(H,20,25)