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 COc1ccc(SC)c(NCC2=NCCN2)c1

InChI InChI=1S/C12H17N3OS/c1-16-9-3-4-11(17-2)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)

InChIKey NMTCRDZBJDXVCH-UHFFFAOYSA-N

Molecular Weight

251.35