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Syntheses, EIMS and 13 C NMR Study of 1,2-DI-Substituted Derivatives of 2-thio-6-aminouracil

Ten new ortho, meta, and para substituted derivatives of 2-benzylthio-1-benzyl-6-aminouracils have been prepared. Electron impact (EI) induced mass spectral fragmentation of these compounds was investigated. Fragmentation pathways are proposed on the basis of accurate mass and metastable transitions measurements. The correlation between the intensities of the M +. and the selected fragment ions of these compounds is discussed. The data obtained create the basis for distinguishing isomers. The 1 H and 13 C NMR spectra of these compounds were assigned unambiguously using a two-dimensional 13 C, 1 H-Long Range correlation (HMBC) spectra. The data derived from these spectra can be used to differentiate the isomers.