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2-Methylmercapto-6-amino-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
SpectraBase Compound ID EEyZG4yVYY4
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(18)20-17(30-4)21-15(11)22/h6,10,12-13,16H,5H2,1-4H3,(H2,18,20,21)/t10-,12-,13-,16?/m1/s1
InChIKey KWDVRYUJBRHVSD-AARXTDBFSA-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 2FjOgcuO3FQ
Name 2-Methylmercapto-6-amino-9.beta.-(2',3',5'-tri-O-acetyl-D-ribofuranosyl)purine
Alternate Name(s) [(2R,3R,4R)-3,4-bis(acetyloxy)-5-[6-amino-2-(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(18)20-17(30-4)21-15(11)22/h6,10,12-13,16H,5H2,1-4H3,(H2,18,20,21)/t10-,12-,13-,16?/m1/s1
InChIKey KWDVRYUJBRHVSD-AARXTDBFSA-N
Molecular Weight 439.443 g/mol
SMILES Nc1c2c([n](C3[C@@]([C@](OC(=O)C)([C@](O3)(COC(=O)C)[H])[H])(OC(=O)C)[H])cn2)nc(n1)SC
SPLASH splash10-0019-0900000000-4eb4f6feeb6471bcf5c2
Source of Spectrum SO-0-451-10
Wiley ID 1538941