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
O=c1ccc2cccc(OCCCCN3CCN(c4cccc5sccc45)CC3)c2[nH]1
InChI=1S/C25H27N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-11,18H,1-2,12-17H2,(H,26,29)
UUYQVYOWXJXSAJ-UHFFFAOYSA-N
433.58