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 CCCCCOc1nsnc1C1=CCC(C)N(C)C1

InChI InChI=1S/C14H23N3OS/c1-4-5-6-9-18-14-13(15-19-16-14)12-8-7-11(2)17(3)10-12/h8,11H,4-7,9-10H2,1-3H3

InChIKey DYCZTUCBGVQCNM-UHFFFAOYSA-N

Molecular Weight

281.43