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(Oc1ccccc1C(C)C)C1=NCCN1

InChI InChI=1S/C14H20N2O/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-15-8-9-16-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)

InChIKey DAEHQHNTEAMXQC-UHFFFAOYSA-N

Molecular Weight

232.33