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 N[C@@H](CS)C(=O)N1CCCC1

InChI InChI=1S/C7H14N2OS/c8-6(5-11)7(10)9-3-1-2-4-9/h6,11H,1-5,8H2/t6-/m0/s1

InChIKey INFUKHMAOAPBIJ-LURJTMIESA-N

Molecular Weight

174.27