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 CCOc1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F

InChI InChI=1S/C13H13F3N2O3/c1-3-20-10-5-4-8(6-9(10)13(14,15)16)11-7(2)21-12(19)18-17-11/h4-7H,3H2,1-2H3,(H,18,19)/t7-/m0/s1

InChIKey GKCRJVINJPUMCL-ZETCQYMHSA-N

Molecular Weight

302.25