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 C=CCNc1ccc(/C=N/N=C(/N)S)nc1

InChI InChI=1S/C10H13N5S/c1-2-5-12-8-3-4-9(13-6-8)7-14-15-10(11)16/h2-4,6-7,12H,1,5H2,(H3,11,15,16)/b14-7+

InChIKey NZQVQMFRRFARHU-VGOFMYFVSA-N

Molecular Weight

235.32