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 CN(N)c1ncnc2[nH]cnc12

InChI InChI=1S/C6H8N6/c1-12(7)6-4-5(9-2-8-4)10-3-11-6/h2-3H,7H2,1H3,(H,8,9,10,11)

InChIKey PBKSSPAQDJOBIO-UHFFFAOYSA-N

Molecular Weight

164.17