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
N#Cc1ccc(Oc2cn[nH]c2-c2cccc(CN3CC(F)(CO)C3)c2)cc1
InChI=1S/C21H19FN4O2/c22-21(14-27)12-26(13-21)11-16-2-1-3-17(8-16)20-19(10-24-25-20)28-18-6-4-15(9-23)5-7-18/h1-8,10,27H,11-14H2,(H,24,25)
XYLWIKXDDAOISX-UHFFFAOYSA-N
378.41