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6-Cyclo-hexyl-meth-yl-5-ethyl-2-[(2-oxo-2-phenyl-eth-yl)sulfan-yl]pyrimidin-4(3H)-one.

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 113.41?(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-H?O hydrogen bonds.

SUBMITTER: Yan WL

PROVIDER: S-EPMC3051611 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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6-Cyclo-hexyl-meth-yl-5-ethyl-2-[(2-oxo-2-phenyl-eth-yl)sulfan-yl]pyrimidin-4(3H)-one.

Yan Wan-Lu WL Guo Qiong Q Li Cong C Ji Xiao-Ying XY He Yan-Ping YP

Acta crystallographica. Section E, Structure reports online 20110129 Pt 2

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 113.41 (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-H⋯O hydrogen bonds. ...[more]

PMID: 21523182

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