I Lab Services
4.14.1.3 Name Preferred Tautomeric Form
This option allows you to choose between two possible procedures for tautomeric analysis.
If Yes is selected, the name for the preferred tautomeric form of the drawn structure will be
generated.
If No is selected, the name for the drawn tautomeric form of the structure will be generated.
For example:
Yes
acetamide acetamide
No
acetamide ethanimidic
acid
4.15 Name to Structure
ACD/Name to Structure generates chemical structures from the names of general organic and
biochemical compounds, within the scope of the possibilities and restrictions described below. It
is an independent program unit.
ACD/Name to Structure enables you:
To generate chemical structures for the following name types:
o
Systematic names of most classes of general organic compounds,
o
Many derivatives of more than 150 basic natural product parent structures,
o
Semisystematic and trivial names of common organic compounds, and
o
Incorrect names that do not strictly follow Organic Nomenclature rules;
To treat chemical names both in their uninverted and inverted form (CAS Index names);
To report warnings about the ambiguity of a chemical name;
To designate the stereo configuration of chiral centers and double bonds;
To assigns numbers to atoms in the generated structure;
To search the trivial or semitrivial names in ACD/Dictionary and generates the structure of
some derivatives of such structures; and
To treat the names in formatted and unformatted text.
When you choose this property, from the I Lab menu, choose Naming, the dialog box appears
where you should type the name from which you want to generate a structure and specify
whether the structure should be searched for in ACD/Dictionary or not.
ACD/Dictionary is an additional module that contains a database of more than 85,340 systematic
and non systematic names of the most frequently used chemicals and biologicals. The entries
cover more than 200 therapeutic areas.
The resultant dialog box displays the query name and the structure generated or found in the
Dictionary in accordance with the specified settings.
ACD/I Lab via ChemSketch
User's Guide
41
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