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 CN(C)CCCNC1=Nc2cccnc2Nc2ccc(Cl)cc21

InChI

InChI=1S/C17H20ClN5/c1-23(2)10-4-9-19-16-13-11-12(18)6-7-14(13)21-17-15(22-16)5-3-8-20-17/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,22)(H,20,21)

InChIKey STJQOFCMAAFRKK-UHFFFAOYSA-N

Molecular Weight

329.84