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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC(C)C)Cl

InChI

InChI=1S/C19H30ClN5O2S/c1-12(2)21-16(26)11-28-18-22-14(20)9-15(23-18)24-7-8-25(13(3)10-24)17(27)19(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3,(H,21,26)