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 CCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1ccc(F)cc1

InChI

InChI=1S/C16H19FN4O4/c1-3-25-15(23)13-8-18-21(9-10(2)22)14(13)20-16(24)19-12-6-4-11(17)5-7-12/h4-8,10,22H,3,9H2,1-2H3,(H2,19,20,24)

InChIKey ZOERPVMMWZPYGS-UHFFFAOYSA-N

Molecular Weight

350.35