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
Oc1ccc(CCn2cc(CNCc3cn(CCc4ccc(O)c(Br)c4)nn3)nn2)cc1Br
InChI=1S/C22H23Br2N7O2/c23-19-9-15(1-3-21(19)32)5-7-30-13-17(26-28-30)11-25-12-18-14-31(29-27-18)8-6-16-2-4-22(33)20(24)10-16/h1-4,9-10,13-14,25,32-33H,5-8,11-12H2
CBEAYFHUMXDUEL-UHFFFAOYSA-N
577.28