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 COC(=O)C(C)c1ccc(-c2ccc(NCc3nc(C)c(C)nc3C)cc2)c(F)c1

InChI

InChI=1S/C24H26FN3O2/c1-14(24(29)30-5)19-8-11-21(22(25)12-19)18-6-9-20(10-7-18)26-13-23-17(4)27-15(2)16(3)28-23/h6-12,14,26H,13H2,1-5H3

InChIKey UDFDMGPYOKAYCP-UHFFFAOYSA-N

Molecular Weight

407.49