2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl 4-Azido-2-Nitrobenzoate Bromide Hydrobromide
[CAS# 78897-57-1]

Identification

• Name: 2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl 4-Azido-2-Nitrobenzoate Bromide Hydrobromide
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl 4-Azido-2-Nitro-Benzoate Bromide Hydrobromide; 4-Azido-2-Nitrobenzoic Acid 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl Ester Bromide Hydrobromide; 4-Azido-2-Nitro-Benzoic Acid 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Ester Bromide Hydrobromide
• Molecular Formula: C₁₉H₂₀Br₂N₈O₄S
• Molecular Weight: 616.29
• CAS Registry Number: 78897-57-1
• SMILES: N(=[N+]=[N-])C1=CC=C(C(=C1)[N+]([O-])=O)C(OCCC2=C([N+](=CS2)CC3=CN=C(N=C3N)C)C)=O.[H+].[Br-].[Br-]
• InChI: 1S/C19H19N8O4S.2BrH/c1-11-17(32-10-26(11)9-13-8-22-12(2)23-18(13)20)5-6-31-19(28)15-4-3-14(24-25-21)7-16(15)27(29)30;;/h3-4,7-8,10H,5-6,9H2,1-2H3,(H2,20,22,23);2*1H/q+1;;/p-1
• InChIKey: KPYQSGABZUVMOY-UHFFFAOYSA-M