Synthesis and crystal structure of ethyl 2-{[4-amino-5-cyano-6-(3,4-di-meth-oxy-phen-yl)pyrimidin-2-yl]sulfan-yl}acetate.

Abstract

In the title com-pound, C17H18N4O4S, the pyrimidine and phenyl rings subtend an inter-planar angle of 30.05 (5)°. The ring angle at the C atom between the N atoms is very wide at 129.32 (11)° and the angles at the ring N atoms are narrow [115.58 (10) and 115.98 (10)°]. The mol-ecules are linked by two classical hy-dro-gen bonds with the amine group as donor, namely N-H⋯N≡C and N-H⋯O=C, via an inversion centre and a 21 screw axis, respectively. There are also short contacts of 3.6006 (7) Å between the centroids of pairs of pyrimidine rings across inversion centres.

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