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(F)cc1Cl

InChI

InChI=1S/C13H17ClFN5O2.BrH/c1-8-18-12(16)19-13(17)20(8)22-6-2-5-21-11-4-3-9(15)7-10(11)14;/h3-4,7-8H,2,5-6H2,1H3,(H4,16,17,18,19);1H

InChIKey WLZRXNAMTBXIBK-UHFFFAOYSA-N

Molecular Weight

410.68