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 COc1cc(C2=NCCN2)cc(OC)c1OC

InChI InChI=1S/C12H16N2O3/c1-15-9-6-8(12-13-4-5-14-12)7-10(16-2)11(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)

InChIKey KIIGFSYTKBZATN-UHFFFAOYSA-N

Molecular Weight

236.27