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 CCc1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1

InChI

InChI=1S/C21H15Cl2N5O/c1-2-18-26-21(29-27-18)20-17-10-24-19(13-5-3-4-6-15(13)23)14-9-12(22)7-8-16(14)28(17)11-25-20/h3-9,11H,2,10H2,1H3

InChIKey BSORTXBDCHWHAL-UHFFFAOYSA-N

Molecular Weight

424.29