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 Oc1ccc(-c2nnc3nc4ccccc4n3c2O)cc1O

InChI InChI=1S/C15H10N4O3/c20-11-6-5-8(7-12(11)21)13-14(22)19-10-4-2-1-3-9(10)16-15(19)18-17-13/h1-7,20-22H

InChIKey OASBIGBNMZTLBE-UHFFFAOYSA-N

Molecular Weight

294.27