2-Amino-7-[4-(2-Amino-6-Oxo-3H-Purin-7-Yl)Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-9-Ium-6-One
[CAS# 74746-59-1]

Identification

• Name: 2-Amino-7-[4-(2-Amino-6-Oxo-3H-Purin-7-Yl)Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-9-Ium-6-One
• Synonyms: 2-Amino-7-[4-(2-Amino-6-Oxo-3H-Purin-7-Yl)Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purin-9-Ium-6-One; 2-Amino-7-[4-(2-Amino-6-Oxo-3H-Purin-7-Yl)Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-3H-Purin-9-Ium-6-One; 2-Amino-7-[4-(2-Amino-6-Keto-3H-Purin-7-Yl)Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-3H-Purin-9-Ium-6-One
• Molecular Formula: C₁₉H₂₅N₁₀O₆
• Molecular Weight: 489.47
• CAS Registry Number: 74746-59-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C5=C([N+](=C2)CCCC[N]3C4=C(N=C3)NC(=NC4=O)N)C(=O)N=C(N5)N
• InChI: 1S/C19H24N10O6/c20-18-23-13-9(15(33)25-18)27(6-22-13)3-1-2-4-28-7-29(14-10(28)16(34)26-19(21)24-14)17-12(32)11(31)8(5-30)35-17/h6-8,11-12,17,30-32H,1-5H2,(H5-,20,21,23,24,25,26,33,34)/p+1/t8-,11-,12-,17-/m1/s1
• InChIKey: GDKHUFACIJCCKL-MZYRTQMTSA-O