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#CCn1ncc(C2CCCNC2)n1

InChI InChI=1S/C10H14N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h1,8-9,11H,3-7H2

InChIKey FRGSXTHALSHQFX-UHFFFAOYSA-N

Molecular Weight

190.25