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(N4CCCC4)c4ccccc4c3nn2)cc1

InChI

InChI=1S/C22H20N4O/c1-27-16-10-8-15(9-11-16)19-14-20-21(25-24-19)17-6-2-3-7-18(17)22(23-20)26-12-4-5-13-26/h2-3,6-11,14H,4-5,12-13H2,1H3

InChIKey OEKRRNONKYUCFF-UHFFFAOYSA-N

Molecular Weight

356.43