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 CCOc1nsnc1OC1CN2CCC1CC2

InChI InChI=1S/C11H17N3O2S/c1-2-15-10-11(13-17-12-10)16-9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3

InChIKey ZDIGSPWEOMQNHN-UHFFFAOYSA-N

Molecular Weight

255.34