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 Nc1ncc(C(=O)NO)cn1

InChI InChI=1S/C5H6N4O2/c6-5-7-1-3(2-8-5)4(10)9-11/h1-2,11H,(H,9,10)(H2,6,7,8)

InChIKey OEXRLJIEPZXNQN-UHFFFAOYSA-N

Molecular Weight

154.13