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 COc1cccc2[nH]c3c4c5ccccc5nc-4c[nH]c3c12

InChI InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,19,21H,1H3

InChIKey GCNSLTKPBZQFJK-UHFFFAOYSA-N

Molecular Weight

287.32