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 Cn1nnn(/C=C/S(=O)(=O)c2ccccc2)c1=O

InChI InChI=1S/C10H10N4O3S/c1-13-10(15)14(12-11-13)7-8-18(16,17)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey ZQARNBQJYKZZJB-BQYQJAHWSA-N

Molecular Weight

266.28