Re: [Rdkit-discuss] name generator

[Sergio M. C. <ser...@gm...>]

Thanks Greg,

I agree, it certainly works for molecules, however I am testing whether
cactus is able to provide names to molecular fragments as well. Things
like methyl phosphinite (COP) are named after that.

See:
http://cactus.nci.nih.gov/chemical/structure/COP/iupac_name

Do you have any hints on systematically naming molecular fragments?








On 28 August 2013 05:53, Greg Landrum <gre...@gm...> wrote:

>
> On Tue, Aug 27, 2013 at 10:32 PM, Sergio Martinez Cuesta <
> ser...@gm...> wrote:
>
>> Oc(:[nH2]):[nH2] does not seem to be in the database
>>
>> http://cactus.nci.nih.gov/chemical/structure/Oc(:[nH2]):[nH2]/iupac_name
>>
>> molcovert does not generate a name either.
>>
>
> That's not actually a stable molecule. it is, at best, a piece of a
> molecule. OC(N)N works fine with the NCI lookup.
> What molecule are you trying to name?
>
> -greg
>
>