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 CCc1nc(N)nc(N)c1-c1ccc(C(C)(C)C)cc1

InChI InChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20)

InChIKey FIUYJLCASFMHJV-UHFFFAOYSA-N

Molecular Weight

270.38