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 CN1C(=O)CN=C(c2ccccc2F)c2ccccc21

InChI InChI=1S/C16H13FN2O/c1-19-14-9-5-3-7-12(14)16(18-10-15(19)20)11-6-2-4-8-13(11)17/h2-9H,10H2,1H3

InChIKey YVTVBCWQHDDTGB-UHFFFAOYSA-N

Molecular Weight

268.29