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 COc1ccc(S(=O)(=O)NN=C(N)N)cc1N

InChI InChI=1S/C8H13N5O3S/c1-16-7-3-2-5(4-6(7)9)17(14,15)13-12-8(10)11/h2-4,13H,9H2,1H3,(H4,10,11,12)

InChIKey WZZPNBHVHRTODZ-UHFFFAOYSA-N

Molecular Weight

259.29