opsin
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dan2097
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
Maybe I am doing something wrong myself, but if I use the following name: `1-decyl-3-methyl-1H-imidazolium` I get the following structure:  If I use the following name: `1-Decyl-3-methyl-1H-imidazol-3-ium` I get...
There are many times that an older systematic/colloquial name for a compound provides a successful page of identifiers on OPSIN. Would it be possible to respond also with the current...
To enable users to grab the data from the page it would be helpful to have 'copy' buttons for each of the different values displayed.
An N-locant is not expected for isocyanate/isothiocyanate, but in some cases they have been added; ChemDraw accepts them. I have only seen a few examples, but it seems relatively harmless...
In some of Cellgene's patents (WO1998003502A1_0102) for lenalidomide they use t-Butyl N-(1-oxo-4-nitroisoindolin-2-yl)-L-glutamine (with the 1 as an I) to represent `O=C1N(CC2=C(C=CC=C12)[N+](=O)[O-])[C@H](C(=O)OC(C)(C)C)CCC(=O)N` ChemDraw 19.1 recognises this name. ChemSrc also uses this...
I use `opsin-core-2.6.0-jar-with-dependencies.jar` as a library within a larger application. When that application is launched from the command line, I get this message printed to the command line the first...
I'm trying to understand the origins/causes of OPSIN's "should not have been lexed as two tokens" parse failures. Trying to reduce a testcase I see that: 1-(1-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1,3-DIOXOISOINDOLIN-4-YL)AMINO)-3,6,9,12-TETRAOXA-PENTADECAN-15-OYL)benzene parses fine, but...
Not sure if this is within scope for Opsin to handle. Anyway these are examples from patents where the author used a construct to form a valid name, but the...
e.g. 8-(3,5-Bis-trifluoromethyl-benzoyl)-3-furan-2-yl-methyl-1-o-tolyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione should be treated as 8-(3,5-Bis-trifluoromethyl-benzoyl)-3-(furan-2-yl-methyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
