N-tert-butyl-2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[4-chloro-6-[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C21H34ClN5O2S MolecularWeight: 456.04496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN5O2S/c1-14-12-26(8-9-27(14)18(29)11-20(2,3)4)16-10-15(22)23-19(24-16)30-13-17(28)25-21(5,6)7/h10,14H,8-9,11-13H2,1-7H3,(H,25,28)