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
CCOc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1
InChI=1S/C21H22N2O4S/c1-2-26-18-9-3-15(4-10-18)13-22-20(24)16-5-7-17(8-6-16)23-21(25)19-14-28-12-11-27-19/h3-10,14H,2,11-13H2,1H3,(H,22,24)(H,23,25)
FPESUUIUDZWYQE-UHFFFAOYSA-N
398.48