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7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[2-O-(methylsulfonyl)-.beta.-D-xylofuranosyl]-
SpectraBase Compound ID lIYEbLPG52
InChI InChI=1S/C12H16N4O6S/c1-23(19,20)22-9-8(18)7(4-17)21-12(9)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8+,9-,12-/m1/s1
InChIKey QYWCANHRLAEWQV-JXVAYASWSA-N
Mol Weight 344.34 g/mol
Molecular Formula C12H16N4O6S
Exact Mass 344.079055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLStSNhQHfl
Name 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[2-O-(methylsulfonyl)-.beta.-D-xylofuranosyl]-
Alternate Name(s) (2R,3R,4S,5R)-2-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl methanesulfonate 4-Amino-7-(2-O-methanesulfonyl-.beta.-D-xylofuranosyl)pyrrolo[2,3-d]pyrimidine
CAS Registry Number 64526-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O6S
InChI InChI=1S/C12H16N4O6S/c1-23(19,20)22-9-8(18)7(4-17)21-12(9)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8+,9-,12-/m1/s1
InChIKey QYWCANHRLAEWQV-JXVAYASWSA-N
Molecular Weight 344.342 g/mol
SMILES O[C@@]1([C@]([C@@](O[C@@]1(CO)[H])([n]1c2c(c(N)ncn2)cc1)[H])(OS(=O)(=O)C)[H])[H]
SPLASH splash10-01qi-0910000000-7ad3fee67e222bd5678d
Source of Spectrum I-55-1265-0
Wiley ID 1337538