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 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1

InChI InChI=1S/C21H17N3/c1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,1H3

InChIKey LPJNRJXWXMNHIA-UHFFFAOYSA-N

Molecular Weight

311.39