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 Fc1cccc2c1ncc1[nH]c(-c3ccon3)nc12

InChI InChI=1S/C13H7FN4O/c14-8-3-1-2-7-11(8)15-6-10-12(7)17-13(16-10)9-4-5-19-18-9/h1-6H,(H,16,17)

InChIKey OXAHAYQTVOCZAE-UHFFFAOYSA-N

Molecular Weight

254.22