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 NCCCCN(Cc1nc2ccccc2s1)C1CCCc2cccnc21

InChI

InChI=1S/C21H26N4S/c22-12-3-4-14-25(15-20-24-17-9-1-2-11-19(17)26-20)18-10-5-7-16-8-6-13-23-21(16)18/h1-2,6,8-9,11,13,18H,3-5,7,10,12,14-15,22H2

InChIKey HDPDPZTXBSYONE-UHFFFAOYSA-N

Molecular Weight

366.53