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 COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1

InChI

InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)

InChIKey ABOUXXMKTJTICI-UHFFFAOYSA-N

Molecular Weight

324.38