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
CNC(=O)c1ccccc1Nc1ncnc2cc(OCCOC)c(OCCOC)cc12
InChI=1S/C22H26N4O5/c1-23-22(27)15-6-4-5-7-17(15)26-21-16-12-19(30-10-8-28-2)20(31-11-9-29-3)13-18(16)24-14-25-21/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)(H,24,25,26)
LUGLLGMRSCGGGY-UHFFFAOYSA-N
426.47