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

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(4-pivaloylpiperazino)pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN5O2S/c1-6-13(2)21-16(26)12-28-18-22-14(20)11-15(23-18)24-7-9-25(10-8-24)17(27)19(3,4)5/h11,13H,6-10,12H2,1-5H3,(H,21,26)