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 CN(C(=O)CCCOc1ccc2nc(O)sc2c1)C1CCCCC1

InChI

InChI=1S/C18H24N2O3S/c1-20(13-6-3-2-4-7-13)17(21)8-5-11-23-14-9-10-15-16(12-14)24-18(22)19-15/h9-10,12-13H,2-8,11H2,1H3,(H,19,22)

InChIKey YWCOQPBUMSDULA-UHFFFAOYSA-N

Molecular Weight

348.47