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 OCCCNc1cncc(-c2cncc(Oc3cccc(Cl)c3)n2)c1

InChI

InChI=1S/C18H17ClN4O2/c19-14-3-1-4-16(8-14)25-18-12-21-11-17(23-18)13-7-15(10-20-9-13)22-5-2-6-24/h1,3-4,7-12,22,24H,2,5-6H2

InChIKey GGTQQIDOJIMFSO-UHFFFAOYSA-N

Molecular Weight

356.81