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
COc1ccc(N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1
InChI=1S/C24H35N3O3/c1-30-21-8-6-20(7-9-21)26-16-14-25(15-17-26)12-4-5-13-27-22(28)18-24(19-23(27)29)10-2-3-11-24/h6-9H,2-5,10-19H2,1H3
JRPXLQIRTYPMNR-UHFFFAOYSA-N
413.56