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 Fc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1

InChI

InChI=1S/C22H14Cl2FN5/c23-17-9-4-14(11-18(17)24)12-29-13-19(27-28-29)22-21(15-5-7-16(25)8-6-15)26-20-3-1-2-10-30(20)22/h1-11,13H,12H2

InChIKey TVNDXMCSDPZNNX-UHFFFAOYSA-N

Molecular Weight

438.29