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
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28)
XTYRATUPWPIEHA-UHFFFAOYSA-N
448.56