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(C)(Oc1ccc(-n2nc3ccccc3n2)cc1)C(=O)O

InChI InChI=1S/C16H15N3O3/c1-16(2,15(20)21)22-12-9-7-11(8-10-12)19-17-13-5-3-4-6-14(13)18-19/h3-10H,1-2H3,(H,20,21)

InChIKey WCUNSFSFETWXRR-UHFFFAOYSA-N

Molecular Weight

297.31