Xanthine (C5H4N4O2)

xanthine (C5H4N4O2; CAS 69-89-6) is a practical retrosynthesis target. xanthine presents a C5 framework, aromatic rings. Open AI route search in one click below.

Target: Xanthine
CAS: 69-89-6
Formula: C5H4N4O2
Approx. MW: 152.11
SMILES: O=c1[nH]c(=O)c2[nH]cnc2[nH]1
PubChem CID: 1188
Approx. carbons: C5

Xanthine structure

Properties

IUPAC name: 3,7-dihydropurine-2,6-dione
Common names: xanthine; 69-89-6; 2,6-Dihydroxypurine; 2,6-dioxopurine; Xanthin; Isoxanthine; Xanthic oxide; 1H-Purine-2,6-diol; Pseudoxanthine; 9H-Purine-2,6-diol
Molecular weight: 152.11
Exact mass: 152.03
InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N
Melting point: > 300 °C

View on PubChem

Xanthine 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Xanthine?

Xanthine has molecular formula C5H4N4O2. Molecular weight about 152.11 g·mol⁻¹.

What is the CAS number of Xanthine?

The CAS Registry Number for Xanthine is 69-89-6.

Run AI retrosynthesis for Xanthine Target catalog AI tools overview

One click loads Xanthine into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

1-Vinylimidazole 1H-Pyrrole-2-carbaldehyde 2-Aminopyridine 2-Bromo-3-hydroxypyridine 2-Bromo-5-chloropyridine 2-Bromo-5-fluoropyridine

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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.