N-(4-Cyanophenyl)-2-[4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,9-Tetrahydro-1H-Purin-8-Yl)Phenoxy]Acetamide
[CAS# 264622-58-4]

Identification

• Name: N-(4-Cyanophenyl)-2-[4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,9-Tetrahydro-1H-Purin-8-Yl)Phenoxy]Acetamide
• Synonyms: (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester; [264622-58-4]; 8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine
• Molecular Formula: C₂₆H₂₆N₆O₄
• Molecular Weight: 486.52
• CAS Registry Number: 264622-58-4
• SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)N=C(N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N
• InChI: 1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
• InChIKey: AJBBEYXFRYFVNM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.664 (Cal.)
• solubility: Soluble to 50 mM in DMSO