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In order to investigate the stabilities of different tautomeric forms of pteridine derivatives with a phenacetyl "ide chain in the 6-or 7-position, we have performed ab initio quantum chemical geometry optimizations of both the keto form and the vinylogous amide form of 6-and 7-phenacetyl pterin. The results are in accordance with experimental expectations: the keto fom1 is slightly more stable for the 6-substituted derivatiye (1 .8 kcal per mol). while the vinylogous amide form isdoi:10.1515/pteridines.19188.8.131.52 fatcat:wiwmvx3amzczzefsjqjoxyrzm4