ABSTRACT
The title compound, C(17)H(21)BrN(4)OS, was synthesized as a potential reverse transcriptase (RT) inhibitor of the human immunodeficiency virus type 1 (HIV-1). In the molecule, there is an N-Hâ¯S hydrogen bond making a five-membered ring. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-Hâ¯N and weak C-Hâ¯N hydrogen bonds. The crystal structure also features C-Hâ¯O inter-actions.
ABSTRACT
In the title compound, C(21)H(26)N(2)O(2)S, the cyclo-hexane ring adopts a chair conformation. The angle at the methyl-ene bridge linking the pyrimidine and cyclo-hexane rings is 113.41â (13)°. This is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-Hâ¯O hydrogen bonds.