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
COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4C3=O)o2)CC1
InChI=1S/C25H25N3O4/c1-31-23-9-5-4-8-22(23)27-14-12-26(13-15-27)16-18-10-11-19(32-18)17-28-24(29)20-6-2-3-7-21(20)25(28)30/h2-11H,12-17H2,1H3
FQPYQERAUASZPW-UHFFFAOYSA-N
431.49