[[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1-Thia-3-Azoniacyclopenta-2,4-Dien-5-Yl]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxyphosphonic Acid
[CAS# 15666-52-1]

Identification

• Name: [[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1-Thia-3-Azoniacyclopenta-2,4-Dien-5-Yl]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxyphosphonic Acid
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₂H₂₀N₄O₁₀P₃S
• Molecular Weight: 505.29
• CAS Registry Number: 15666-52-1
• SMILES: [S+]1=C[N](C(=C1CCO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)C)CC2=CN=C(N=C2N)C
• InChI: 1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1
• InChIKey: IWLROWZYZPNOFC-UHFFFAOYSA-O