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 CN1CCC=C(c2nsnc2OCCc2ccccc2)C1

InChI InChI=1S/C16H19N3OS/c1-19-10-5-8-14(12-19)15-16(18-21-17-15)20-11-9-13-6-3-2-4-7-13/h2-4,6-8H,5,9-12H2,1H3

InChIKey COXDDTLVAWXUPJ-UHFFFAOYSA-N

Molecular Weight

301.42