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 Fc1ccc(-c2ncoc2-c2ccc3nnc(-c4ccccc4)n3c2)cc1

InChI InChI=1S/C21H13FN4O/c22-17-9-6-14(7-10-17)19-20(27-13-23-19)16-8-11-18-24-25-21(26(18)12-16)15-4-2-1-3-5-15/h1-13H

InChIKey QCJWBKMIGDTPMY-UHFFFAOYSA-N

Molecular Weight

356.36