2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-pivaloyl-piperazino)pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C(C)(C)C

InChI

InChI=1S/C19H30ClN5O2S/c1-6-7-21-16(26)12-28-18-22-14(20)10-15(23-18)24-8-9-25(13(2)11-24)17(27)19(3,4)5/h10,13H,6-9,11-12H2,1-5H3,(H,21,26)