Received 5 July 2012
In the title compound, C12H16N4S, the fused benzothiophene and the pyrimidine rings are coplanar [dihedral angle = 1.61 (6)°]. Three C atoms of the cyclohexene ring (at positions 3, 6 and 7) are disordered over two sites with an occupancy ratio of 0.702 (8):0.298 (8). The cyclohexene ring in both the major and minor components adopts a half-chair conformation. The crystal structure is stabilized by N-HN and C-HN interactions, resulting in the formation of inversion dimers with R22(10) and R22(12) graph-set motifs.
For the biological activity of thiophenes, benzothiophenes and pyrimidines, see: Pathak et al. (1991); Shishoo & Jain (1992). For a related crystal structure, see: Panchamukhi et al. (2011). For graph-set notations, see: Bernstein et al. (1995).
Data collection: SMART (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1998); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and CAMERON (Watkin et al., 1996); software used to prepare material for publication: WinGX (Farrugia, 1999).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2567 ).
IMK is thankful to the University Grants Commission, India, for financial assistance.
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