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(C2=NN(C3CCOCC3)C(=O)C3CC=CCC23)cc1OC

InChI

InChI=1S/C21H26N2O4/c1-25-18-8-7-14(13-19(18)26-2)20-16-5-3-4-6-17(16)21(24)23(22-20)15-9-11-27-12-10-15/h3-4,7-8,13,15-17H,5-6,9-12H2,1-2H3

InChIKey LDQZVKGBHAZGGR-UHFFFAOYSA-N

Molecular Weight

370.45