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
Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCOC(=O)OCc2ccccc2)n1
InChI=1S/C21H21ClN4O3/c22-16-9-4-8-15(12-16)18-17(25-20(24)26-19(18)23)10-5-11-28-21(27)29-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H4,23,24,25,26)
JRNLGRIRDACEEA-UHFFFAOYSA-N
412.88