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(-c2cc(-c3nccs3)c(=O)n(C)c2-c2ccncc2)cc1

InChI InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3

InChIKey MRBNIDFDWVVALT-UHFFFAOYSA-N

Molecular Weight

375.45