9-(4-Chlorophenyl)-3H-Purine-2,6-Dione
[CAS# 21314-10-3]

Identification

• Name: 9-(4-Chlorophenyl)-3H-Purine-2,6-Dione
• Synonyms: 9-(4-Chlorophenyl)Xanthine; Nsc19100
• Molecular Formula: C₁₁H₇ClN₄O₂
• Molecular Weight: 262.65
• CAS Registry Number: 21314-10-3
• SMILES: C2=NC1=C(NC(=O)NC1=O)[N]2C3=CC=C(Cl)C=C3
• InChI: 1S/C11H7ClN4O2/c12-6-1-3-7(4-2-6)16-5-13-8-9(16)14-11(18)15-10(8)17/h1-5H,(H2,14,15,17,18)
• InChIKey: GDPWJVYHZWPCCN-UHFFFAOYSA-N

Properties

• Density: 1.717g/cm³ (Cal.)