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 NCc1ccc(-c2cnccc2-c2ccccc2)o1

InChI InChI=1S/C16H14N2O/c17-10-13-6-7-16(19-13)15-11-18-9-8-14(15)12-4-2-1-3-5-12/h1-9,11H,10,17H2

InChIKey FTADDJUTNNYRBB-UHFFFAOYSA-N

Molecular Weight

250.3