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 COCCOc1cc2nncc(Nc3ccc(Cl)cc3F)c2cc1OC

InChI

InChI=1S/C18H17ClFN3O3/c1-24-5-6-26-18-9-15-12(8-17(18)25-2)16(10-21-23-15)22-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)

InChIKey DUQXHJPGYOWVMD-UHFFFAOYSA-N

Molecular Weight

377.8