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=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O

InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)11-3-1-2-10(8-11)9-22-13-14(16(25)15(13)24)23-12-4-6-21-7-5-12/h1-8,22H,9H2,(H,21,23)

InChIKey GQHMZZXJWGPHDA-UHFFFAOYSA-N

Molecular Weight

347.3