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 CN1Cc2nn(Cc3cc4ccccc4o3)c(-c3ccccc3F)c2C1

InChI

InChI=1S/C21H18FN3O/c1-24-12-17-19(13-24)23-25(21(17)16-7-3-4-8-18(16)22)11-15-10-14-6-2-5-9-20(14)26-15/h2-10H,11-13H2,1H3

InChIKey LKOHMOAPBNVMIF-UHFFFAOYSA-N

Molecular Weight

347.39