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)(C)c1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

InChI InChI=1S/C19H25ClN2O2/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3

InChIKey ZTDDFURFCLJRDB-UHFFFAOYSA-N

Molecular Weight

348.87