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 N#Cc1cncc(N2CC3CC2CN3)c1

InChI InChI=1S/C11H12N4/c12-3-8-1-10(5-13-4-8)15-7-9-2-11(15)6-14-9/h1,4-5,9,11,14H,2,6-7H2

InChIKey CJRLDFQDWXLGLH-UHFFFAOYSA-N

Molecular Weight

200.25