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 Clc1cc2nn(C3CCCCO3)nc2cc1Cl

InChI InChI=1S/C11H11Cl2N3O/c12-7-5-9-10(6-8(7)13)15-16(14-9)11-3-1-2-4-17-11/h5-6,11H,1-4H2

InChIKey DWHDCRWNFDQGGZ-UHFFFAOYSA-N

Molecular Weight

272.13