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 Clc1ccc2c(c1)C(NCC1CC1)=Nc1ccccc1O2

InChI InChI=1S/C17H15ClN2O/c18-12-7-8-15-13(9-12)17(19-10-11-5-6-11)20-14-3-1-2-4-16(14)21-15/h1-4,7-9,11H,5-6,10H2,(H,19,20)

InChIKey RDXRAKSGVCDYBE-UHFFFAOYSA-N

Molecular Weight

298.77