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(-c2cc3nc(N4CCOCC4)c4ccccc4c3nn2)cc1

InChI

InChI=1S/C22H20N4O2/c1-27-16-8-6-15(7-9-16)19-14-20-21(25-24-19)17-4-2-3-5-18(17)22(23-20)26-10-12-28-13-11-26/h2-9,14H,10-13H2,1H3

InChIKey ZXUKIAAIZXWCNU-UHFFFAOYSA-N

Molecular Weight

372.43