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 CCc1cccc(CC)c1-n1c(CC2CCOC2)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O

InChI

InChI=1S/C34H37ClN4O3S/c1-3-23-6-5-7-24(4-2)31(23)39-30(18-22-12-17-42-20-22)27(33(40)38-15-13-36-14-16-38)19-28(34(39)41)32-37-29(21-43-32)25-8-10-26(35)11-9-25/h5-11,19,21-22,36H,3-4,12-18,20H2,1-2H3

InChIKey HBDNDABWGQBBRY-UHFFFAOYSA-N

Molecular Weight

617.22

Search this InChIKey in ChEMBL →