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 CCCCCCOc1nccnc1C1=CCCCN(C)C1

InChI InChI=1S/C17H27N3O/c1-3-4-5-8-13-21-17-16(18-10-11-19-17)15-9-6-7-12-20(2)14-15/h9-11H,3-8,12-14H2,1-2H3

InChIKey TUMPMMHAUWRONL-UHFFFAOYSA-N

Molecular Weight

289.42