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 c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1

InChI

InChI=1S/C17H21N5/c1-3-15(18-7-1)11-22-8-2-4-16(12-22)20-14-5-6-17-13(9-14)10-19-21-17/h1,3,5-7,9-10,16,18,20H,2,4,8,11-12H2,(H,19,21)

InChIKey AFRRRQARLYDLTJ-UHFFFAOYSA-N

Molecular Weight

295.39