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

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-pivaloyl-piperazino)pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C18H28ClN5O3S MolecularWeight: 429.96462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O3S/c1-6-27-22-15(25)11-28-17-20-13(19)9-14(21-17)23-7-8-24(12(2)10-23)16(26)18(3,4)5/h9,12H,6-8,10-11H2,1-5H3,(H,22,25)