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 Clc1cccc2c1CC(CC1CN=CN1)CC2

InChI InChI=1S/C14H17ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-3,9-10,12H,4-8H2,(H,16,17)

InChIKey BMPZSZPBZNKNFC-UHFFFAOYSA-N

Molecular Weight

248.76