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 CCCn1ncc(C2=CCCN(C)C2)n1

InChI InChI=1S/C11H18N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h5,8H,3-4,6-7,9H2,1-2H3

InChIKey ZYLDIOUZTVCBBN-UHFFFAOYSA-N

Molecular Weight

206.29