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.beta.-DL-threo-Pentopyranoside, methyl 3,4-dideoxy-3-(1,4-dihydro-6-methyl-4-thioxo-7H-pyrrolo[2,3-d]pyrimid in-7-yl)-
SpectraBase Compound ID 70paQMqndHt
InChI InChI=1S/C13H17N3O3S/c1-7-5-8-11(14-6-15-12(8)20)16(7)9-3-4-19-13(18-2)10(9)17/h5-6,9-10,13,17H,3-4H2,1-2H3,(H,14,15,20)/t9-,10?,13?/m1/s1
InChIKey ZFIHMDCHADYPPA-TTXORMCVSA-N
Mol Weight 295.36 g/mol
Molecular Formula C13H17N3O3S
Exact Mass 295.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeYwH6P7CAv
Name .beta.-DL-threo-Pentopyranoside, methyl 3,4-dideoxy-3-(1,4-dihydro-6-methyl-4-thioxo-7H-pyrrolo[2,3-d]pyrimid in-7-yl)-
CAS Registry Number 88095-14-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O3S
InChI InChI=1S/C13H17N3O3S/c1-7-5-8-11(14-6-15-12(8)20)16(7)9-3-4-19-13(18-2)10(9)17/h5-6,9-10,13,17H,3-4H2,1-2H3,(H,14,15,20)/t9-,10?,13?/m1/s1
InChIKey ZFIHMDCHADYPPA-TTXORMCVSA-N
Molecular Weight 295.357 g/mol
SMILES OC1[C@]([n]2c(cc3c2N=CNC3=S)C)(CCOC1OC)[H]
SPLASH splash10-014i-0900000000-3f5cddf3c07839f2421e
Source of Spectrum Y-20-927-3
Synonyms 7-(3',4'-Didesoxy-1'-O-methyl-3'-.beta.-D,l-threo-pentopyrannosyl)4-mercapto-6-methylpyrolo[2,3-d]pyrimidine 7H-pyrrolo[2,3-d]pyrimidine, .beta.-DL-threo-pentopyranoside deriv. methyl 3,4-dideoxy-3-(6-methyl-4-thioxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-D-glycero-pentopyranoside
Wiley ID 1298001