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(SCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1

InChI

InChI=1S/C23H22N2O3S/c1-28-17-8-10-18(11-9-17)29-15-13-24-12-14-25-22(26)19-6-2-4-16-5-3-7-20(21(16)19)23(25)27/h2-11,24H,12-15H2,1H3

InChIKey DUYWDESTXRBKCT-UHFFFAOYSA-N

Molecular Weight

406.51