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 COc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1

InChI

InChI=1S/C20H16N4O/c1-25-16-11-9-15(10-12-16)22-20-17-8-5-13-21-19(17)23-18(24-20)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,22,23,24)

InChIKey NNIBESKDQBFDGM-UHFFFAOYSA-N

Molecular Weight

328.38