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 C1=C(c2nc3ccccc3o2)C2CCN1CC2

InChI InChI=1S/C14H14N2O/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2

InChIKey LCJWZLPNZLCYKB-UHFFFAOYSA-N

Molecular Weight

226.28