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 CC(C)N1C(=O)N/C(=C\c2c[nH]c3ccccc23)C1=O

InChI InChI=1S/C15H15N3O2/c1-9(2)18-14(19)13(17-15(18)20)7-10-8-16-12-6-4-3-5-11(10)12/h3-9,16H,1-2H3,(H,17,20)/b13-7-

InChIKey AUKQIDROQNEDFQ-QPEQYQDCSA-N

Molecular Weight

269.3