Abstract

Stacking interactions between thymine and 1,3-dimethylxanthine rings of 7-[ω-(2,4-dioxo-1,2,3,4-tet-rahydro-5-methyl-l-pyrimidinyl)alkyl]-1,3-dimethylxanthine were studied by means of 1H NMR spectroscopy in aqueous solutions and organic solvents. The spectra were compared with those of 1, l'-(α,ω-alkanediyl) bis [thymine] and 7,7'-(α,ω-alkanediy1)-bis [1,3-dimethylxanthine]. On the basis of the chemical shifts of the ring protons and methyl groups of thymine and xanthine rings, a stacked conformation between thymine and 1,3-dimethylxanthine rings in aqueous solutions was estimated.

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