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 C#CCn1nnc(C2CCCNC2)n1

InChI InChI=1S/C9H13N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h1,8,10H,3-7H2

InChIKey LTEZPTLJJMBVFZ-UHFFFAOYSA-N

Molecular Weight

191.24