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 Cc1cccc2nc3c4cccnc4c(=O)cc-3oc12

InChI InChI=1S/C16H10N2O2/c1-9-4-2-6-11-16(9)20-13-8-12(19)14-10(15(13)18-11)5-3-7-17-14/h2-8H,1H3

InChIKey BSKAILWFGMOALG-UHFFFAOYSA-N

Molecular Weight

262.27