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  • Title: 8-Aza-7-deaza-2'-deoxy-2-(methylsulfanyl)adenosine.
    Author: Seela F, Jawalekar AM, Budow S, Eickmeier H.
    Journal: Acta Crystallogr C; 2005 Sep; 61(Pt 9):o562-4. PubMed ID: 16143781.
    Abstract:
    In the title compound, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine, C11H16N5O3S, the conformation of the glycosidic bond is between anti and high anti. The 2'-deoxyribofuranosyl moiety adopts the C3'-exo-C4'-endo conformation (3T4, S-type sugar pucker), and the conformation at the exocyclic C-C bond is +sc (+gauche). The exocyclic 6-amine group and the 2-methylsulfanyl group lie on different sides of the heterocyclic ring system. The molecules form a three-dimensional hydrogen-bonded network that is stabilized by O-H...N, N-H...O and C-H...O hydrogen bonds.
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