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 CC(=O)Nc1ccc(S(=O)(=O)N=C(N)N)cc1

InChI InChI=1S/C9H12N4O3S/c1-6(14)12-7-2-4-8(5-3-7)17(15,16)13-9(10)11/h2-5H,1H3,(H,12,14)(H4,10,11,13)

InChIKey BDTLWPHLHNDHRC-UHFFFAOYSA-N

Molecular Weight

256.29