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 CNC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O

InChI InChI=1S/C10H9N3O3S/c1-11-9(15)6-7(14)10(16)13-8(12-6)5-3-2-4-17-5/h2-4,14H,1H3,(H,11,15)(H,12,13,16)

InChIKey MAOSMWFVKCTXKC-UHFFFAOYSA-N

Molecular Weight

251.27