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6-[(p-Nitrobenzyl)thio]-9-(3'-O-methyl-.beta.-D-ribofuranosyl)purine
SpectraBase Compound ID AE9SKOFpbQ0
InChI InChI=1S/C18H19N5O6S/c1-28-15-12(6-24)29-18(14(15)25)22-9-21-13-16(22)19-8-20-17(13)30-7-10-2-4-11(5-3-10)23(26)27/h2-5,8-9,12,14-15,18,24-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
InChIKey XUOAIDINGGYVBZ-SCFUHWHPSA-N
Mol Weight 433.44 g/mol
Molecular Formula C18H19N5O6S
Exact Mass 433.105605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhZDYb8gkN4
Name 6-[(p-Nitrobenzyl)thio]-9-(3'-O-methyl-.beta.-D-ribofuranosyl)purine
Alternate Name(s) (2R,3R,4S,5R)-5-(hydroxymethyl)-4-methoxy-2-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N5O6S
InChI InChI=1S/C18H19N5O6S/c1-28-15-12(6-24)29-18(14(15)25)22-9-21-13-16(22)19-8-20-17(13)30-7-10-2-4-11(5-3-10)23(26)27/h2-5,8-9,12,14-15,18,24-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
InChIKey XUOAIDINGGYVBZ-SCFUHWHPSA-N
Molecular Weight 433.439 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@@]1(OC)[H])(O)[H])([n]1c2c(c(SCc3ccc(N(=O)=O)cc3)ncn2)nc1)[H])[H]
SPLASH splash10-000i-2950200000-cd090800bd5b0efaf73f
Source of Spectrum J-39-1891-3
Wiley ID 848778