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(CCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1)N1CCCCC1
InChI=1S/C24H27ClN6O/c25-19-6-4-7-20(13-19)29-23-17-27-16-22(30-23)18-12-21(15-26-14-18)28-9-5-8-24(32)31-10-2-1-3-11-31/h4,6-7,12-17,28H,1-3,5,8-11H2,(H,29,30)
XHUDKIDUXNJFIC-UHFFFAOYSA-N
450.97