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

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)cc1

InChI InChI=1S/C20H18FN3O2/c1-12(2)24-17-10-14(21)6-9-16(17)23-11-22-18(19(23)20(24)25)13-4-7-15(26-3)8-5-13/h4-12H,1-3H3

InChIKey BGWZLGOWCXYYRI-UHFFFAOYSA-N

Molecular Weight

351.38