2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl 2-(Hydroxy-Phosphonooxyphosphoryl)Oxyacetate Chloride
[CAS# 104114-88-7]

Identification

• Name: 2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl 2-(Hydroxy-Phosphonooxyphosphoryl)Oxyacetate Chloride
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl 2-(Hydroxy-Phosphonooxy-Phosphoryl)Oxyacetate Chloride; 2-(Hydroxy-Phosphonooxyphosphoryl)Oxyacetic Acid 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl Ester Chloride; 2-(Hydroxy-Phosphonooxy-Phosphoryl)Oxyacetic Acid 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Ester Chloride
• Molecular Formula: C₁₄H₂₁ClN₄O₉P₂S
• Molecular Weight: 518.80
• CAS Registry Number: 104114-88-7
• SMILES: C1=[N+](C(=C(S1)CCOC(=O)CO[P](O[P](O)(O)=O)(O)=O)C)CC2=CN=C(N=C2N)C.[Cl-]
• InChI: 1S/C14H20N4O9P2S.ClH/c1-9-12(30-8-18(9)6-11-5-16-10(2)17-14(11)15)3-4-25-13(19)7-26-29(23,24)27-28(20,21)22;/h5,8H,3-4,6-7H2,1-2H3,(H4-,15,16,17,20,21,22,23,24);1H
• InChIKey: FCISWEMZFAELCQ-UHFFFAOYSA-N