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 CC1=C(c2nnn(C)n2)CNCC1

InChI InChI=1S/C8H13N5/c1-6-3-4-9-5-7(6)8-10-12-13(2)11-8/h9H,3-5H2,1-2H3

InChIKey WBZAIKDYRNBSDX-UHFFFAOYSA-N

Molecular Weight

179.23