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 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C#N

InChI

InChI=1S/C20H17N3O3/c1-2-25-18-9-6-12(10-13(18)11-21)20-22-19(23-26-20)16-5-3-4-15-14(16)7-8-17(15)24/h3-6,9-10,17,24H,2,7-8H2,1H3/t17-/m0/s1

InChIKey BDLSIEXAHBHVIM-KRWDZBQOSA-N

Molecular Weight

347.37