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 CCn1cncc1-c1c[nH]c2ccc(OC(F)(F)F)cc12

InChI InChI=1S/C14H12F3N3O/c1-2-20-8-18-7-13(20)11-6-19-12-4-3-9(5-10(11)12)21-14(15,16)17/h3-8,19H,2H2,1H3

InChIKey GRSQXDFCYGJDMR-UHFFFAOYSA-N

Molecular Weight

295.26