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 COc1cncc(N2CC3CC2CN3)c1

InChI InChI=1S/C11H15N3O/c1-15-11-3-10(4-12-6-11)14-7-8-2-9(14)5-13-8/h3-4,6,8-9,13H,2,5,7H2,1H3

InChIKey WTIVOXCWVQKFER-UHFFFAOYSA-N

Molecular Weight

205.26