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8-[(1-Methyl-4-nitroimidazol-5-yl)thio]-3-(.beta.-D-ribofuranosyl)-S-triazolo[4,3-a]pyrazine
SpectraBase Compound ID IEvrXDZOJcp
InChI InChI=1S/C14H15N7O6S/c1-19-5-16-12(21(25)26)14(19)28-13-11-18-17-10(20(11)3-2-15-13)9-8(24)7(23)6(4-22)27-9/h2-3,5-9,22-24H,4H2,1H3/t6-,7-,8-,9-/m1/s1
InChIKey IMGPSJCQERBUFD-FNCVBFRFSA-N
Mol Weight 409.38 g/mol
Molecular Formula C14H15N7O6S
Exact Mass 409.080452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FLvujNybrS
Name 8-[(1-Methyl-4-nitroimidazol-5-yl)thio]-3-(.beta.-D-ribofuranosyl)-S-triazolo[4,3-a]pyrazine
CAS Registry Number 68797-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N7O6S
InChI InChI=1S/C14H15N7O6S/c1-19-5-16-12(21(25)26)14(19)28-13-11-18-17-10(20(11)3-2-15-13)9-8(24)7(23)6(4-22)27-9/h2-3,5-9,22-24H,4H2,1H3/t6-,7-,8-,9-/m1/s1
InChIKey IMGPSJCQERBUFD-FNCVBFRFSA-N
Molecular Weight 409.377 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@@]1(O)[H])(O)[H])(c1[n]2c(C(Sc3c(nc[n]3C)N(=O)=O)=NC=C2)nn1)[H])[H]
SPLASH splash10-0a4i-0902000000-a73ba71cdc6a8eb55310
Source of Spectrum J-44-1034-0
Synonyms (1S)-1,4-anhydro-1-{8-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-3-yl}-D-ribitol
Wiley ID 1373244