[Conformational analysis of 5-substituted uracil].

S G Stepan'ian, E D Radchenko, G G Sheina, Iu P Vlagoĭ

Index: Biofizika 34(5) , 753-7, (1989)

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Abstract

The high-resolution IR-spectra of 5-nitrouracil and 5-bromouracil isolated in Ar matrices at 11 K were obtained for the first time. The conformational structure of uracil 5-substituents--thymine, 5-bromouracil, 5-nitrouracil--is calculated by the molecular mechanics and quantum--chemical MINDO/3 methods. The possibility of thymine transition to nonplanar conformations is observed.