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 Cc1noc(C2CN=CNC2)n1.O=C(O)C(F)(F)F

InChI InChI=1S/C7H10N4O.C2HF3O2/c1-5-10-7(12-11-5)6-2-8-4-9-3-6;3-2(4,5)1(6)7/h4,6H,2-3H2,1H3,(H,8,9);(H,6,7)

InChIKey VNNPKITYMMVTIG-UHFFFAOYSA-N

Molecular Weight

280.21