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 CNCC/C=C(\c1ccc(Br)cc1)c1cccnc1

InChI InChI=1S/C16H17BrN2/c1-18-10-3-5-16(14-4-2-11-19-12-14)13-6-8-15(17)9-7-13/h2,4-9,11-12,18H,3,10H2,1H3/b16-5+

InChIKey VQVDJYDOAZXKDF-FZSIALSZSA-N

Molecular Weight

317.23