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 c1ccc(-c2cc3nc(N4CCCC4)c4ccccc4c3nn2)cc1

InChI

InChI=1S/C21H18N4/c1-2-8-15(9-3-1)18-14-19-20(24-23-18)16-10-4-5-11-17(16)21(22-19)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2

InChIKey FRXHUKCFBXGFBN-UHFFFAOYSA-N

Molecular Weight

326.4