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 CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21

InChI

InChI=1S/C18H20N4/c1-22(12-17-20-14-8-2-3-9-15(14)21-17)16-10-4-6-13-7-5-11-19-18(13)16/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3,(H,20,21)

InChIKey FSHOCXHHNGCGBX-UHFFFAOYSA-N

Molecular Weight

292.39