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 Br.CC1N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1

InChI

InChI=1S/C13H18ClN5O2.BrH/c1-9-17-12(15)18-13(16)19(9)21-8-2-7-20-11-5-3-10(14)4-6-11;/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18);1H

InChIKey VLUCKFKOXGHRKR-UHFFFAOYSA-N

Molecular Weight

392.69