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 CCCc1nc2c(C)ccnc2n1Cc1cc(Cl)c(O)c(Cl)c1

InChI InChI=1S/C17H17Cl2N3O/c1-3-4-14-21-15-10(2)5-6-20-17(15)22(14)9-11-7-12(18)16(23)13(19)8-11/h5-8,23H,3-4,9H2,1-2H3

InChIKey OTFWXOOPLLSNJX-UHFFFAOYSA-N

Molecular Weight

350.25