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2-Methylmercapto-6-chloro-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
SpectraBase Compound ID H1xOla9dV7N
InChI InChI=1S/C17H19ClN4O7S/c1-7(23)26-5-10-12(27-8(2)24)13(28-9(3)25)16(29-10)22-6-19-11-14(18)20-17(30-4)21-15(11)22/h6,10,12-13,16H,5H2,1-4H3/t10-,12-,13-,16?/m1/s1
InChIKey JDCZDQCEZBSYEB-AARXTDBFSA-N
Mol Weight 458.87 g/mol
Molecular Formula C17H19ClN4O7S
Exact Mass 458.066298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdiyGrw9gwi
Name 2-Methylmercapto-6-chloro-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
Alternate Name(s) [(2R,3R,4R)-3,4-bis(acetyloxy)-5-[6-chloro-2-(methylsulfanyl)-9H-purin-9-yl]oxolan-2-yl]methyl acetate Acetic acid [(2R,3R,4R)-3,4-diacetyloxy-5-[6-chloro-2-(methylthio)-9-purinyl]-2-oxolanyl]methyl ester [(2R,3R,4R)-3,4-diacetyloxy-5-(6-chloro-2-methylsulfanylpurin-9-yl)oxolan-2-yl]methyl acetate [(2R,3R,4R)-3,4-diacetoxy-5-(6-chloro-2-methylsulfanyl-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate [(2R,3R,4R)-3,4-diacetyloxy-5-(6-chloranyl-2-methylsulfanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate
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Formula C17H19ClN4O7S
InChI InChI=1S/C17H19ClN4O7S/c1-7(23)26-5-10-12(27-8(2)24)13(28-9(3)25)16(29-10)22-6-19-11-14(18)20-17(30-4)21-15(11)22/h6,10,12-13,16H,5H2,1-4H3/t10-,12-,13-,16?/m1/s1
InChIKey JDCZDQCEZBSYEB-AARXTDBFSA-N
Molecular Weight 458.873 g/mol
SMILES c12[n](cnc2c(Cl)nc(n1)SC)C1[C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-000i-0940000000-e4d4b262d7e73867e920
Source of Spectrum SO-0-451-7
Wiley ID 1538943