Closed jtd1g16 closed 4 years ago
Probably you already figured it out but I couldn't replicate your issue. Running on mine, it returns:
>>>cirpy.resolve("4,4',4''-methanetriyltris(N,N-diethylaniline)", 'smiles')
'CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC'
I also cannot reproduce. Is that the exact input that you used?
I also cannot reproduce. Is that the exact input that you used?
That would have been a direct copy of my input - I just tried and this seems to be resolved!
4,4',4''-methanetriyltris(N,N-diethylaniline) (https://pubchem.ncbi.nlm.nih.gov/compound/Leucocrystal-Violet#section=MeSH-Entry-Terms) comes up with the following SMILES: [W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].CCN(CC)c1ccc(cc1)C+c3ccc(cc3)N(CC)CC'