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 CCOc1nc2ccccc2nc1C(=O)N1CCN(CC)CC1

InChI InChI=1S/C17H22N4O2/c1-3-20-9-11-21(12-10-20)17(22)15-16(23-4-2)19-14-8-6-5-7-13(14)18-15/h5-8H,3-4,9-12H2,1-2H3

InChIKey XPNANRXSBFFQQQ-UHFFFAOYSA-N

Molecular Weight

314.39