N-[2-(Azepan-1-yl)-9-isopropyl-9H-purin-6-yl]-4-methoxybenzylamine
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—H⋯N hydrogen bonds connecting two adjacent molecules, thus forming centrosymmetric dimers, the N⋯N distance being 3.0403 (16) Å.