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(C)CC1

InChI InChI=1S/C16H20N4O2/c1-3-22-15-14(16(21)20-10-8-19(2)9-11-20)17-12-6-4-5-7-13(12)18-15/h4-7H,3,8-11H2,1-2H3

InChIKey OHBUNSDDNYHRPH-UHFFFAOYSA-N

Molecular Weight

300.36