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 CCCCCCCn1nnc(C2=CCCN(C)C2)n1

InChI InChI=1S/C14H25N5/c1-3-4-5-6-7-11-19-16-14(15-17-19)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3

InChIKey RBBQTGOIQULXHG-UHFFFAOYSA-N

Molecular Weight

263.39