Allantoin (C4H6N4O3)

allantoin presents a C4 framework, an amide (formula C4H6N4O3, CAS 97-59-6). ChemicalTool Reaction can propose ranked disconnections for allantoin from the SMILES NC(=O)NC1NC(=O)NC1=O.

Target: Allantoin
CAS: 97-59-6
Formula: C4H6N4O3
Approx. MW: 158.12
SMILES: NC(=O)NC1NC(=O)NC1=O
PubChem CID: 204
Approx. carbons: C4

Allantoin structure

Properties

Molecular weight: 158.12

View on PubChem

Allantoin 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Allantoin?

Allantoin has molecular formula C4H6N4O3. Molecular weight about 158.12 g·mol⁻¹.

What is the CAS number of Allantoin?

The CAS Registry Number for Allantoin is 97-59-6.

Run AI retrosynthesis for Allantoin Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H6N4O3.

Related targets

Similar compounds

1-Methylhydantoin 5-Methylhydantoin Barbituric Acid dihydrouracil Maleimide Methylguanidineacetic acid

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.