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 CCCCCCNC(=O)Nc1nc2ccccc2s1

InChI InChI=1S/C14H19N3OS/c1-2-3-4-7-10-15-13(18)17-14-16-11-8-5-6-9-12(11)19-14/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,16,17,18)

InChIKey KESBMEGTLWDJME-UHFFFAOYSA-N

Molecular Weight

277.39