The Smiles structural formula for the oral corona drug is as follows
Molnupiravir(Merck）：CC(C)C(=O)OCC2OC(n1ccc(=NO)[nH]c1=O)C(O)C2O
AT-527（Roche）：CNc1nc(N)nc2c1NCN2C4OC(COP(=O)(NC(C)C(=O)OC(C)C)Oc3ccccc3)C(O)C4F
S-217622(Shionogi & Co.)：COc4cccc5[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(=O)c3nc2ccccc2s3)cc45
PF-07321332(Pfizer）：CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC3C(C1C(=O)NC(C#N)CC2CCNC2=O)C3(C)C
Baricitinib : CCS(=O)(=O)N4CC(n3cc(c1ncnc2[nH]ccc12)cn3)C4CC#N
It is difficult to understand what kind of structure it is even if you only look at this. In such a case, let’s use the JSME Molecular Editor to display it.
Click on the part of the menu where two ▶︎ are combined.
Then, select “Paste MOL or SDF or SMILES”, and paste one of the SMILES structures above into it. Then click the “Accept” button to display the 2D molecular structure.
This is a very useful method when you want to modify the molecular structure.
This is very useful when considering bioequivalence and other issues.
If you want to get the molecular structure in SVG format, you may want to use the following program that uses the RDKit functionality.