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 COc1ccccc1N1CCc2c(C)nc3c(OC)cccc3c21

InChI InChI=1S/C20H20N2O2/c1-13-14-11-12-22(16-8-4-5-9-17(16)23-2)20(14)15-7-6-10-18(24-3)19(15)21-13/h4-10H,11-12H2,1-3H3

InChIKey ZVCLXPNROWCWPR-UHFFFAOYSA-N

Molecular Weight

320.39