Acta Cryst. (2004). E60, o924-o926  [ doi:10.1107/S1600536804010207 ]

N-[2-(Azepan-1-yl)-9-isopropyl-9H-purin-6-yl]-4-methoxybenzylamine

Z. Trávnícek and M. Zatloukal

Abstract: The title compound, C₂₂H₃₀N₆O, is a potent inhibitor of estrogen sulfotransferase which catalyses the transfer of a sulfuryl group from 3'-phosphoadenosine 5'-phosphosulfate to estrogen and estrogen-like compounds. The pyrimidine plane forms dihedral angles of 81.53  (4) and 2.99  (4)° with the benzene and imidazole rings, respectively. The crystal structure is stabilized by N-HN hydrogen bonds connecting two adjacent molecules, thus forming centrosymmetric dimers, the NN distance being 3.0403  (16)  Å.

Online 30 April 2004

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