Re: [Rdkit-discuss] A question of molecule structure

[Markus Metz]

Dear Gao:
Your question is a tautomer related issue.
May be this might help you:
https://rdkit.blogspot.com/2020/01/trying-out-new-tautomer.html 

https://github.com/rdkit/rdkit/issues/2908 

Best,
Markus


> On Sep 19, 2020, at 9:03 AM, Gao, Zhenxiang  wrote:
> 
> Hi folks,
>  
> I have a simple question. Two double bonds in the following molecule are 
> outsides the two rings. Does Rdkit has some functions to move two double 
> bonds back to the rings?
>  
> SMILES : Cc1ccc(=NC(=O)N=c2[nH]c(C)cn2C)[nH]c1
> 
>  
> Thanks,
> Jason Gao
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[Rdkit-discuss] A question of molecule structure

[Gao, Zhenxiang]

Hi folks,

I have a simple question. Two double bonds in the following molecule are 
outsides the two rings. Does Rdkit has some functions to move two double bonds 
back to the rings?

SMILES : Cc1ccc(=NC(=O)N=c2[nH]c(C)cn2C)[nH]c1
[cid:image001.jpg@01D68E7C.D80BA8E0]

Thanks,
Jason Gao
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