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2,6-Dimethylmercapto-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
SpectraBase Compound ID FSwuwEsPC84
InChI InChI=1S/C18H22N4O7S2/c1-8(23)26-6-11-13(27-9(2)24)14(28-10(3)25)17(29-11)22-7-19-12-15(22)20-18(31-5)21-16(12)30-4/h7,11,13-14,17H,6H2,1-5H3
InChIKey SZGYAXFNVNCVOQ-UHFFFAOYSA-N
Mol Weight 470.52 g/mol
Molecular Formula C18H22N4O7S2
Exact Mass 470.092991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ipoAS3txsh
Name 2,6-Dimethylmercapto-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
Alternate Name(s) [3,4-bis(acetyloxy)-5-[2,6-bis(methylsulfanyl)-9H-purin-9-yl]oxolan-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O7S2
InChI InChI=1S/C18H22N4O7S2/c1-8(23)26-6-11-13(27-9(2)24)14(28-10(3)25)17(29-11)22-7-19-12-15(22)20-18(31-5)21-16(12)30-4/h7,11,13-14,17H,6H2,1-5H3
InChIKey SZGYAXFNVNCVOQ-UHFFFAOYSA-N
Molecular Weight 470.515 g/mol
SMILES c12[n](cnc2c(SC)nc(n1)SC)C1C(C(OC(=O)C)C(O1)COC(=O)C)OC(=O)C
SPLASH splash10-052r-0960100000-5a4f5d1200f38d76b20a
Source of Spectrum SO-0-451-8
Wiley ID 1538942