<< Back
01/06/2013 18:27:58
To clarify, the SMILES n1cnnc1 does not depict on Daylight's SMILES, and contains too little information to determine the correct chemical graph with bond orders. It requires the position of the hydrogen on one of the nitrogens to be specified too, like: [nH]1cnnc1
13/02/2014 11:38:38
The SMILES on this record has been regenerated, and should now be valid although with a different solution than you have suggested here. Rather than aromatic SMILES with an explicit hydrogen, the bond orders are now specified.
Feedback Form