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 COCc1noc(C2CN=CNC2)n1.O=C(O)C(F)(F)F

InChI InChI=1S/C8H12N4O2.C2HF3O2/c1-13-4-7-11-8(14-12-7)6-2-9-5-10-3-6;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3,(H,9,10);(H,6,7)

InChIKey MMHPPEHLIVWCHZ-UHFFFAOYSA-N

Molecular Weight

310.23