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 CN1CCC=C(c2nnnn2C)C1

InChI InChI=1S/C8H13N5/c1-12-5-3-4-7(6-12)8-9-10-11-13(8)2/h4H,3,5-6H2,1-2H3

InChIKey INOQPVRNJBTWPG-UHFFFAOYSA-N

Molecular Weight

179.23