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 CCCC1CCc2nc3ccc(Cl)cc3c(N)c2C1

InChI InChI=1S/C16H19ClN2/c1-2-3-10-4-6-14-12(8-10)16(18)13-9-11(17)5-7-15(13)19-14/h5,7,9-10H,2-4,6,8H2,1H3,(H2,18,19)

InChIKey LEHBXMAVEQPINB-UHFFFAOYSA-N

Molecular Weight

274.8