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 O=Cc1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1ccc(F)cc1

InChI

InChI=1S/C21H18F2N2O/c22-16-6-4-14(5-7-16)12-15-2-1-3-19-20(13-26)24-25(21(15)19)18-10-8-17(23)9-11-18/h4-11,13,15H,1-3,12H2

InChIKey UHRJNFAUJIYDCS-UHFFFAOYSA-N

Molecular Weight

352.38