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 CN1CCN(C2=Nc3ccccc3Nc3ccncc32)CC1

InChI InChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)17-13-12-18-7-6-14(13)19-15-4-2-3-5-16(15)20-17/h2-7,12,19H,8-11H2,1H3

InChIKey YIWJZRDFRBCBID-UHFFFAOYSA-N

Molecular Weight

293.37