8-(Hexahydro-1H-Azepin-1-Yl)-3,7-Dihydro-3-Methyl-7-(2-Phenoxyethyl)-1H-Purine-2,6-Dione
[CAS# 105522-56-3]

Identification

• Name: 8-(Hexahydro-1H-Azepin-1-Yl)-3,7-Dihydro-3-Methyl-7-(2-Phenoxyethyl)-1H-Purine-2,6-Dione
• Synonyms: 8-(1-Azepanyl)-3-Methyl-7-[2-(Phenoxy)Ethyl]Purine-2,6-Dione; 8-(Azepan-1-Yl)-3-Methyl-7-[2-(Phenoxy)Ethyl]Xanthine; St5024082
• Molecular Formula: C₂₀H₂₅N₅O₃
• Molecular Weight: 383.45
• CAS Registry Number: 105522-56-3
• SMILES: C4=C(OCC[N]1C3=C(N=C1N2CCCCCC2)N(C(NC3=O)=O)C)C=CC=C4
• InChI: 1S/C20H25N5O3/c1-23-17-16(18(26)22-20(23)27)25(13-14-28-15-9-5-4-6-10-15)19(21-17)24-11-7-2-3-8-12-24/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,22,26,27)
• InChIKey: ZIQGZKIBJUPBHB-UHFFFAOYSA-N

Properties

• Density: 1.358g/cm³ (Cal.)