4-(3,7-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Benzenesulfonamide
[CAS# 149981-21-5]

Identification

• Name: 4-(3,7-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Benzenesulfonamide
• Synonyms: 3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine; 4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonamide
• Molecular Formula: C₁₃H₁₃N₅O₄S
• Molecular Weight: 335.34
• CAS Registry Number: 149981-21-5
• SMILES: CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)N)N(C(=O)NC2=O)C
• InChI: 1S/C13H13N5O4S/c1-17-9-11(18(2)13(20)16-12(9)19)15-10(17)7-3-5-8(6-4-7)23(14,21)22/h3-6H,1-2H3,(H2,14,21,22)(H,16,19,20)
• InChIKey: DDFVXPNYCNTGTD-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Refractive index: 1.768 (Cal.)