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 c1ccc2c(c1)Nc1c3ccccc3nc3cccc-2c13

InChI InChI=1S/C19H12N2/c1-3-9-15-12(6-1)13-8-5-11-17-18(13)19(21-15)14-7-2-4-10-16(14)20-17/h1-11,21H

InChIKey RMRACQZLZKPDJI-UHFFFAOYSA-N

Molecular Weight

268.32