N-(2-Chloro-4,5-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(hexadecyloxy)phenyl]-3-oxopropanamide
[CAS# 94134-64-2]

Identification

• Name: N-(2-Chloro-4,5-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(hexadecyloxy)phenyl]-3-oxopropanamide
• Synonyms: N-(2-chloro-4,5-dimethoxyphenyl)-α-[4-(hexadecyloxy)benzoyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide
• Molecular Formula: C₄₀H₅₄ClN₅O₇
• Molecular Weight: 752.34
• CAS Registry Number: 94134-64-2
• EINECS: 302-834-3
• SMILES: CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(n3cnc2N(C)C(=O)N(C)C(=O)c23)C(=O)Nc4cc(OC)c(OC)cc4Cl
• InChI: 1S/C40H54ClN5O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-53-29-22-20-28(21-23-29)36(47)34(38(48)43-31-26-33(52-5)32(51-4)25-30(31)41)46-27-42-37-35(46)39(49)45(3)40(50)44(37)2/h20-23,25-27,34H,6-19,24H2,1-5H3,(H,43,48)
• InChIKey: VXCAQHXZOMRRMG-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)