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 COC(=N)NS(=O)(=O)c1ccc(OC)c(N)c1

InChI InChI=1S/C9H13N3O4S/c1-15-8-4-3-6(5-7(8)10)17(13,14)12-9(11)16-2/h3-5H,10H2,1-2H3,(H2,11,12)

InChIKey NTLJVGBOSYUWOV-UHFFFAOYSA-N

Molecular Weight

259.29