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 CCCCOc1ccc(-c2nnn(C(C)C(=O)OCC)n2)cc1

InChI InChI=1S/C16H22N4O3/c1-4-6-11-23-14-9-7-13(8-10-14)15-17-19-20(18-15)12(3)16(21)22-5-2/h7-10,12H,4-6,11H2,1-3H3

InChIKey UKWJCZGGDPFBFK-UHFFFAOYSA-N

Molecular Weight

318.38