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 CCCCN1CCC=C(c2nnn(CC)n2)C1

InChI InChI=1S/C12H21N5/c1-3-5-8-16-9-6-7-11(10-16)12-13-15-17(4-2)14-12/h7H,3-6,8-10H2,1-2H3

InChIKey PLFFGIFAQCGKIR-UHFFFAOYSA-N

Molecular Weight

235.33