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.

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Canonical SMILES Cl.Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1

InChI

InChI=1S/C19H20N4O2.ClH/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15;/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23);1H

InChIKey NJIDCASBRKMMBG-UHFFFAOYSA-N

Molecular Weight

372.86

Search this InChIKey in ChEMBL →