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2-Amino-6-methylthio-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
SpectraBase Compound ID 43zwUvcEtmZ
InChI InChI=1S/C17H21N5O7S/c1-7(23)26-5-10-12(27-8(2)24)13(28-9(3)25)16(29-10)22-6-19-11-14(22)20-17(18)21-15(11)30-4/h6,10,12-13,16H,5H2,1-4H3,(H2,18,20,21)
InChIKey SQONPMBTLDPPNE-UHFFFAOYSA-N
Mol Weight 439.44 g/mol
Molecular Formula C17H21N5O7S
Exact Mass 439.116169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sWrJ41GMqz
Name 2-Amino-6-methylthio-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
Alternate Name(s) [3,4-bis(acetyloxy)-5-[2-amino-6-(methylsulfanyl)-9H-purin-9-yl]oxolan-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N5O7S
InChI InChI=1S/C17H21N5O7S/c1-7(23)26-5-10-12(27-8(2)24)13(28-9(3)25)16(29-10)22-6-19-11-14(22)20-17(18)21-15(11)30-4/h6,10,12-13,16H,5H2,1-4H3,(H2,18,20,21)
InChIKey SQONPMBTLDPPNE-UHFFFAOYSA-N
Molecular Weight 439.443 g/mol
SMILES Nc1nc(c2c([n](C3C(C(OC(=O)C)C(O3)COC(=O)C)OC(=O)C)cn2)n1)SC
SPLASH splash10-000i-0910000000-42552d12b2410060d6dd
Source of Spectrum SO-0-451-5
Wiley ID 1538944