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#CCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1

InChI

InChI=1S/C19H18N4O/c1-2-11-24-16-6-3-14(4-7-16)9-10-21-19-17-12-15(20)5-8-18(17)22-13-23-19/h1,3-8,12-13H,9-11,20H2,(H,21,22,23)

InChIKey YSZMMQFUXBYUBG-UHFFFAOYSA-N

Molecular Weight

318.38