N-{2,5-Diethoxy-4-[methyl(octadecyl)sulfamoyl]phenyl}-3-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-oxopropanamide
[CAS# 85099-39-4]

Identification

• Name: N-{2,5-Diethoxy-4-[methyl(octadecyl)sulfamoyl]phenyl}-3-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-oxopropanamide
• Synonyms: N-[2,5-diethoxy-4-[(methyloctadecylamino)sulphonyl]phenyl]-α-(2,4-dimethoxybenzoyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide
• Molecular Formula: C₄₇H₇₀N₆O₁₀S
• Molecular Weight: 911.16
• CAS Registry Number: 85099-39-4
• EINECS: 285-495-3
• SMILES: CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OCC)c(cc1OCC)NC(=O)C(n3cnc2N(C)C(=O)N(C)C(=O)c23)C(=O)c4ccc(OC)cc4OC
• InChI: 1S/C47H70N6O10S/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-50(4)64(58,59)40-32-38(62-10-2)36(31-39(40)63-11-3)49-45(55)41(43(54)35-28-27-34(60-7)30-37(35)61-8)53-33-48-44-42(53)46(56)52(6)47(57)51(44)5/h27-28,30-33,41H,9-26,29H2,1-8H3,(H,49,55)
• InChIKey: CQLSRQUODDPRRK-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)