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 CCCCn1nnc(C2=CCCN(C)C2)n1

InChI InChI=1S/C11H19N5/c1-3-4-8-16-13-11(12-14-16)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3

InChIKey QCVKLQQFEXUBOZ-UHFFFAOYSA-N

Molecular Weight

221.31