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(=O)N(C)CC#CCn1ccnc1

InChI InChI=1S/C10H13N3O2/c1-12(10(14)15-2)6-3-4-7-13-8-5-11-9-13/h5,8-9H,6-7H2,1-2H3

InChIKey ONDHLXZLOKXNND-UHFFFAOYSA-N

Molecular Weight

207.23