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 Clc1cccc2c1COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2

InChI

InChI=1S/C20H20ClN5O/c21-16-4-3-5-17-15(16)12-27-13-19-23-24-20(26(17)19)14-7-10-25(11-8-14)18-6-1-2-9-22-18/h1-6,9,14H,7-8,10-13H2

InChIKey OAIAMBIVJLJTJI-UHFFFAOYSA-N

Molecular Weight

381.87