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 CCCc1ccncc1-c1ccc(CN)s1.Cl.Cl

InChI InChI=1S/C13H16N2S.2ClH/c1-2-3-10-6-7-15-9-12(10)13-5-4-11(8-14)16-13;;/h4-7,9H,2-3,8,14H2,1H3;2*1H

InChIKey IRSPKLHDNRKDAA-UHFFFAOYSA-N

Molecular Weight

305.27