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=Nc3cccnc3N(C)c3ccccc32)CC1

InChI InChI=1S/C18H21N5/c1-21-10-12-23(13-11-21)17-14-6-3-4-8-16(14)22(2)18-15(20-17)7-5-9-19-18/h3-9H,10-13H2,1-2H3

InChIKey WUASVKNSQAYQRW-UHFFFAOYSA-N

Molecular Weight

307.4