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(COCc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChI=1S/C24H20ClN5O2/c25-19-7-4-8-20(10-19)28-23-14-27-13-22(30-23)18-9-21(12-26-11-18)29-24(31)16-32-15-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,28,30)(H,29,31)
VNWIFJVTNVMBLJ-UHFFFAOYSA-N
445.91