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 C#CCNC1CCc2c(SCc3ccc(F)cc3F)cccc21

InChI InChI=1S/C19H17F2NS/c1-2-10-22-18-9-8-16-15(18)4-3-5-19(16)23-12-13-6-7-14(20)11-17(13)21/h1,3-7,11,18,22H,8-10,12H2

InChIKey QNOAOYYVKQPCNZ-UHFFFAOYSA-N

Molecular Weight

329.42