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 CS(=O)(=O)c1ccc(C(F)(F)F)cc1NCC1=NCCN1

InChI InChI=1S/C12H14F3N3O2S/c1-21(19,20)10-3-2-8(12(13,14)15)6-9(10)18-7-11-16-4-5-17-11/h2-3,6,18H,4-5,7H2,1H3,(H,16,17)

InChIKey NEAKCLFZBLSGMR-UHFFFAOYSA-N

Molecular Weight

321.32