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
CC/C=C/C(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)cc3)nc3ccsc23)c1
InChI=1S/C24H22N4O3S/c1-3-4-8-21(29)25-17-6-5-7-19(15-17)31-23-22-20(13-14-32-22)27-24(28-23)26-16-9-11-18(30-2)12-10-16/h4-15H,3H2,1-2H3,(H,25,29)(H,26,27,28)/b8-4+
DUWQLJLFDMFREF-XBXARRHUSA-N
446.53