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
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1
InChI=1S/C29H41N7O3/c1-29(2,3)34-28(37)33-27-24(20-14-22(38-5)17-23(15-20)39-6)16-21-19-31-26(18-25(21)32-27)30-8-7-9-36-12-10-35(4)11-13-36/h14-19H,7-13H2,1-6H3,(H,30,31)(H2,32,33,34,37)
ABQSJCCISLWTEW-UHFFFAOYSA-N
535.69