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 CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1

InChI

InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)

InChIKey MQDXWJHNAPIJKB-UHFFFAOYSA-N

Molecular Weight

356.51