Zhengyu Liu, K. Liu, A. Rheingold
Apr 22, 2009
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Journal
Acta Crystallographica Section E: Structure Reports Online
Abstract
The title compound, C13H17N5OS, was obtained by cycloaddition of 2-[2-(methylsulfanyl)pyrimidin-4-yl]-3-oxopropanenitrile with (tetrahydrofuran-3-yl)hydrazine dihydrochloride and subsequent N-methylation of 4-[2-(methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-2-yl)-1H-pyrazol-5-amine with methyl iodide. The two molecules in the asymmetric unit have opposite absolute configurations and are related by a noncrystallographic inversion center. Both feature intramolecular N—H⋯N hydrogen bonds. The geometry of the molecules is similar to that observed in the structure of a single enantiomer of the title compound.