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(-c2c(-c3cc(OC)c(OC)c(OC)c3)ncn2C)cc1N

InChI InChI=1S/C20H23N3O4/c1-23-11-22-18(19(23)12-6-7-15(24-2)14(21)8-12)13-9-16(25-3)20(27-5)17(10-13)26-4/h6-11H,21H2,1-5H3

InChIKey FPYCENGURKTVHJ-UHFFFAOYSA-N

Molecular Weight

369.42