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 Cc1cc(Br)cc(C)c1N=C1NCCN1

InChI InChI=1S/C11H14BrN3/c1-7-5-9(12)6-8(2)10(7)15-11-13-3-4-14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,15)

InChIKey FVZBHRRTMVAKDW-UHFFFAOYSA-N

Molecular Weight

268.16