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 Brc1ccc2cc(CNCC3CCNCC3)sc2c1

InChI InChI=1S/C15H19BrN2S/c16-13-2-1-12-7-14(19-15(12)8-13)10-18-9-11-3-5-17-6-4-11/h1-2,7-8,11,17-18H,3-6,9-10H2

InChIKey ANSZLHQXIZSIBL-UHFFFAOYSA-N

Molecular Weight

339.3