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 Cc1ccc(/C=N/NC(=S)N2CCNCC2)cc1

InChI InChI=1S/C13H18N4S/c1-11-2-4-12(5-3-11)10-15-16-13(18)17-8-6-14-7-9-17/h2-5,10,14H,6-9H2,1H3,(H,16,18)/b15-10+

InChIKey OLUJTYXIKDCBLD-XNTDXEJSSA-N

Molecular Weight

262.38