N2-Acetyl-9-[4-acetoxy-3-(acetoxymethyl)butyl]guanine

SpectraBase Compound ID	BC3rdOkvUlQ
InChI	InChI=1S/C16H21N5O6/c1-9(22)18-16-19-14-13(15(25)20-16)17-8-21(14)5-4-12(6-26-10(2)23)7-27-11(3)24/h8,12H,4-7H2,1-3H3,(H2,18,19,20,22,25)
InChIKey	AUNBLDUGZCOTDR-UHFFFAOYSA-N Google Search
Mol Weight	379.37 g/mol
Molecular Formula	C16H21N5O6
Exact Mass	379.149183 g/mol

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SpectraBase Spectrum ID	AN6lz8QzFKo
Name	N2-Acetyl-9-[4-acetoxy-3-(acetoxymethyl)butyl]guanine
Alternate Name(s)	4-[2-(acetylamino)-6-oxo-1,6-dihydro-9H-purin-9-yl]-2-[(acetyloxy)methyl]butyl acetate acetic acid[4-(2-acetamido-6-keto-3H-purin-9-yl)-2-(acetoxymethyl)butyl]ester acetic acid[4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetyloxymethyl)butyl]ester [4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-(acetyloxymethyl)butyl]ethanoate [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetoxymethyl)butyl]acetate [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetyloxymethyl)butyl]acetate acetic acid [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] ester [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] acetate [4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(acetoxymethyl)butyl] acetate [4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-(acetyloxymethyl)butyl] ethanoate
Comments	Less than 3 mono-isotopic peaks
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Formula	C16H21N5O6
InChI	InChI=1S/C16H21N5O6/c1-9(22)18-16-19-14-13(15(25)20-16)17-8-21(14)5-4-12(6-26-10(2)23)7-27-11(3)24/h8,12H,4-7H2,1-3H3,(H2,18,19,20,22,25)
InChIKey	AUNBLDUGZCOTDR-UHFFFAOYSA-N
Molecular Weight	379.373 g/mol
SMILES	N(C1=Nc2[n](cnc2C(N1)=O)CCC(COC(=O)C)COC(=O)C)C(=O)C
SPLASH	splash10-004i-0097000000-dc872663e6b4c47a59cd
Source of Spectrum	C5-2003-2792-24
Wiley ID	1616286