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 c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1

InChI InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2

InChIKey YXMJFMIXRKCUHW-UHFFFAOYSA-N

Molecular Weight

342.36