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)CC(C1=NCCN1)N2

InChI InChI=1S/C11H13N3/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10,14H,5-7H2,(H,12,13)

InChIKey ZDJXLVODTOEWLJ-UHFFFAOYSA-N

Molecular Weight

187.25