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 COCCNC(=N)NCCC[C@H](N)C(=O)NO

InChI InChI=1S/C9H21N5O3/c1-17-6-5-13-9(11)12-4-2-3-7(10)8(15)14-16/h7,16H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1

InChIKey IFWSVXVDMUDJJS-ZETCQYMHSA-N

Molecular Weight

247.3