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=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccccc1
InChI=1S/C22H29N3O2/c26-22(24-20-10-3-1-4-11-20)23-13-8-16-27-21-12-7-9-19(17-21)18-25-14-5-2-6-15-25/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H2,23,24,26)
CQXOQBCTEPZRNB-UHFFFAOYSA-N
367.49