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 C=Cn1nnc(C2=CCCN(C)C2)n1

InChI InChI=1S/C9H13N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h3,5H,1,4,6-7H2,2H3

InChIKey UDJLPNPMOSITJT-UHFFFAOYSA-N

Molecular Weight

191.24