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 Oc1c(-c2cccs2)nnc2nc3ccccc3n12

InChI InChI=1S/C13H8N4OS/c18-12-11(10-6-3-7-19-10)15-16-13-14-8-4-1-2-5-9(8)17(12)13/h1-7,18H

InChIKey PELGCIVBISNCKE-UHFFFAOYSA-N

Molecular Weight

268.3