Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
COc1ncc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F
InChI=1S/C31H36FN5O3/c1-21-24-16-22(23-17-25(32)31(39-2)34-19-23)18-28(30(24)36-20-35-21)40-15-11-7-5-3-4-6-8-14-29(38)37-27-13-10-9-12-26(27)33/h9-10,12-13,16-20H,3-8,11,14-15,33H2,1-2H3,(H,37,38)
PONOMMJXJQRWSX-UHFFFAOYSA-N
545.66