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 c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1

InChI InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)10-20-16-9-5-4-8-14(16)19-17(20)15-11-21-12-18-15/h1-9,11-12H,10H2

InChIKey RWZYJIHLVDIUBB-UHFFFAOYSA-N

Molecular Weight

291.38