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[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O

InChI InChI=1S/C16H13BrN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)/t10-/m0/s1

InChIKey GAONFNHSQRTFJA-JTQLQIEISA-N

Molecular Weight

329.2