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)c1noc(=O)[nH]1

InChI

InChI=1S/C10H20N6O3/c1-18-6-5-14-9(12)13-4-2-3-7(11)8-15-10(17)19-16-8/h7H,2-6,11H2,1H3,(H3,12,13,14)(H,15,16,17)/t7-/m0/s1

InChIKey FHZVWHPQDRDCQT-ZETCQYMHSA-N

Molecular Weight

272.31