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 CC(C)(C)c1ccc(C(=O)Nc2cccc3ncccc23)cc1

InChI InChI=1S/C20H20N2O/c1-20(2,3)15-11-9-14(10-12-15)19(23)22-18-8-4-7-17-16(18)6-5-13-21-17/h4-13H,1-3H3,(H,22,23)

InChIKey RHSGOMCGIGMUBD-UHFFFAOYSA-N

Molecular Weight

304.39