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 Cc1ccc(CC2=NCCN2)c(C)c1O

InChI InChI=1S/C12H16N2O/c1-8-3-4-10(9(2)12(8)15)7-11-13-5-6-14-11/h3-4,15H,5-7H2,1-2H3,(H,13,14)

InChIKey WWYUBWHZLAVZDY-UHFFFAOYSA-N

Molecular Weight

204.27