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(O)C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1
InChI=1S/C22H20N2O4S/c25-21(26)14-7-9-24(10-8-14)12-15-13-27-19-11-16(5-6-17(15)19)28-22-23-18-3-1-2-4-20(18)29-22/h1-6,11,13-14H,7-10,12H2,(H,25,26)
PBFXIFNZNWKWMV-UHFFFAOYSA-N
408.48