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 CCn1cc(-c2cnc3ccc(N(CCN)c4cc(OC)cc(OC)c4)cc3n2)cn1

InChI

InChI=1S/C23H26N6O2/c1-4-28-15-16(13-26-28)23-14-25-21-6-5-17(11-22(21)27-23)29(8-7-24)18-9-19(30-2)12-20(10-18)31-3/h5-6,9-15H,4,7-8,24H2,1-3H3

InChIKey SKIAWPBWOAQQEZ-UHFFFAOYSA-N

Molecular Weight

418.5