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 C#CCN1CCN(Cc2ccnc3c(O)cccc23)CC1

InChI InChI=1S/C17H19N3O/c1-2-8-19-9-11-20(12-10-19)13-14-6-7-18-17-15(14)4-3-5-16(17)21/h1,3-7,21H,8-13H2

InChIKey HRUPXSFFRGFAGL-UHFFFAOYSA-N

Molecular Weight

281.36