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2-{6-[2-Amino-6-(2-trimethylsilanyl-ethoxy)-purin-9-yl]-hexylsulfanylcarbonyl}-3-iodo-2-methyl-propionic acid methyl ester
SpectraBase Compound ID 3THYJudi2q2
InChI InChI=1S/C22H36IN5O4SSi/c1-22(14-23,19(29)31-2)20(30)33-12-9-7-6-8-10-28-15-25-16-17(28)26-21(24)27-18(16)32-11-13-34(3,4)5/h15H,6-14H2,1-5H3,(H2,24,26,27)
InChIKey ARVWHBKEECAUOK-UHFFFAOYSA-N
Mol Weight 621.6 g/mol
Molecular Formula C22H36IN5O4SSi
Exact Mass 621.130197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cVEn4L7ClT
Name 2-{6-[2-Amino-6-(2-trimethylsilanyl-ethoxy)-purin-9-yl]-hexylsulfanylcarbonyl}-3-iodo-2-methyl-propionic acid methyl ester
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Formula C22H36IN5O4SSi
InChI InChI=1S/C22H36IN5O4SSi/c1-22(14-23,19(29)31-2)20(30)33-12-9-7-6-8-10-28-15-25-16-17(28)26-21(24)27-18(16)32-11-13-34(3,4)5/h15H,6-14H2,1-5H3,(H2,24,26,27)
InChIKey ARVWHBKEECAUOK-UHFFFAOYSA-N
Molecular Weight 621.610 g/mol
SMILES Nc1nc(c2c(n1)[n](cn2)CCCCCCSC(C(C(=O)OC)(CI)C)=O)OCC[Si](C)(C)C
SPLASH splash10-0076-9524000000-480a87bc3e860020f24a
Source of Spectrum H-85-3015-7
Synonyms Methyl 3-[(6-{2-amino-6-[2-(trimethylsilyl)ethoxy]-9H-purin-9-yl}hexyl)sulfanyl]-2-(iodomethyl)-2-methyl-3-oxopropanoate Methyl 3-[6'-{2''-amino-6''-[2'''-(trimethylsilyl)ethoxy]-9H-purin-9''-yl}hexylthio]-2-(iodomethyl)-2-methylpropanoate
Wiley ID 1524644