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 CN(c1ccncc1)n1ccc2cc(Br)ccc21

InChI InChI=1S/C14H12BrN3/c1-17(13-4-7-16-8-5-13)18-9-6-11-10-12(15)2-3-14(11)18/h2-10H,1H3

InChIKey LCPXLRHRFOEFHQ-UHFFFAOYSA-N

Molecular Weight

302.18