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8-(Benzylthio)-3-(.beta.-D-ribofuranosyl)-S-triazolo[4,3-a]pyrazine
SpectraBase Compound ID GXGYzhg4IUR
InChI InChI=1S/C17H18N4O4S/c22-8-11-12(23)13(24)14(25-11)15-19-20-16-17(18-6-7-21(15)16)26-9-10-4-2-1-3-5-10/h1-7,11-14,22-24H,8-9H2/t11-,12-,13-,14-/m1/s1
InChIKey YVJBNSVGVMNPJP-AAVRWANBSA-N
Mol Weight 374.42 g/mol
Molecular Formula C17H18N4O4S
Exact Mass 374.104876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaXLrvdxsXE
Name 8-(Benzylthio)-3-(.beta.-D-ribofuranosyl)-S-triazolo[4,3-a]pyrazine
Alternate Name(s) (1S)-1,4-anhydro-1-[8-(benzylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-D-ribitol
CAS Registry Number 68797-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O4S
InChI InChI=1S/C17H18N4O4S/c22-8-11-12(23)13(24)14(25-11)15-19-20-16-17(18-6-7-21(15)16)26-9-10-4-2-1-3-5-10/h1-7,11-14,22-24H,8-9H2/t11-,12-,13-,14-/m1/s1
InChIKey YVJBNSVGVMNPJP-AAVRWANBSA-N
Molecular Weight 374.415 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@@]1(O)[H])(O)[H])(c1[n]2c(C(SCc3ccccc3)=NC=C2)nn1)[H])[H]
SPLASH splash10-0006-9104000000-53417dfaa95243f83783
Source of Spectrum J-44-1034-0
Wiley ID 1356423