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8-(Benzylthio)-3-(2'-deoxy-.beta.-D-erythro-pentofuranosyl)-S-triazolo[4,3-a]pyrazine
SpectraBase Compound ID 65l7fcSy6w0
InChI InChI=1S/C17H18N4O3S/c22-9-14-12(23)8-13(24-14)15-19-20-16-17(18-6-7-21(15)16)25-10-11-4-2-1-3-5-11/h1-7,12-14,22-23H,8-10H2/t12-,13-,14-/m1/s1
InChIKey UDNOJVMXUNSOSL-MGPQQGTHSA-N
Mol Weight 358.42 g/mol
Molecular Formula C17H18N4O3S
Exact Mass 358.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXyUejV8BZH
Name 8-(Benzylthio)-3-(2'-deoxy-.beta.-D-erythro-pentofuranosyl)-S-triazolo[4,3-a]pyrazine
Alternate Name(s) (1R)-1,4-anhydro-1-[8-(benzylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-deoxy-D-threo-pentitol
CAS Registry Number 68797-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O3S
InChI InChI=1S/C17H18N4O3S/c22-9-14-12(23)8-13(24-14)15-19-20-16-17(18-6-7-21(15)16)25-10-11-4-2-1-3-5-11/h1-7,12-14,22-23H,8-10H2/t12-,13-,14-/m1/s1
InChIKey UDNOJVMXUNSOSL-MGPQQGTHSA-N
Molecular Weight 358.416 g/mol
SMILES OC[C@]1(O[C@](C[C@]1(O)[H])(c1[n]2c(nn1)C(=NC=C2)SCc1ccccc1)[H])[H]
SPLASH splash10-0a4l-4009000000-1be6fe51ff5da4fd12d7
Source of Spectrum J-44-1035-0
Wiley ID 1346865