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 Cc1cn(Nc2ccncc2)c2ccccc12

InChI InChI=1S/C14H13N3/c1-11-10-17(14-5-3-2-4-13(11)14)16-12-6-8-15-9-7-12/h2-10H,1H3,(H,15,16)

InChIKey FOWTXXOWJKWIGY-UHFFFAOYSA-N

Molecular Weight

223.28