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 COc1cc(N2CCN(c3cnccc3C3CC3)C2=O)ccn1

InChI InChI=1S/C17H18N4O2/c1-23-16-10-13(4-7-19-16)20-8-9-21(17(20)22)15-11-18-6-5-14(15)12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3

InChIKey PNHAORYXCSBTBY-UHFFFAOYSA-N

Molecular Weight

310.36