International Union of Pure and Applied Chemistry (IUPAC) recently published new recommendations on nomenclature of organic chemistry (IUPAC Blue Book 2013). The most important part of these recommendations is a concept of �Preferred IUPAC Name� (PIN) established by hierarchical order of criteria allowing to derive the unique systematic name intended for registrations, patents, regulations and other official purposes. Together with introduction of PIN concept new IUPAC recommendations introduce several principle changes in naming procedures that will change systematic names for many classes of organic structures. While strict following of IUPAC recommendations is not mandatory, the gradual change of naming conventions is expected and will affect chemical publications and databases.An introduction of these changes makes organic nomenclature not only stricter but at the same more difficult to memorize, thus increasing the role of automatic naming tools. The presentation will illustrate the most principle changes of naming principles with examples of the corresponding classes of chemicals. The overall impact of application of new nomenclature rules will be estimated via comparison of systematic names generated by ACD/Labs naming tools according to the previous and new naming principles for large compound libraries.

New IUPAC organic nomenclature: From bottle label to update of databases

248th National Meeting (2014)

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