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2-amino-9-[(2R,3R,5S)-3-hydroxy-4-methylene-5-methylol-tetrahydrofuran-2-yl]-3H-purine-6-thione
SpectraBase Compound ID I5Fh2mGkKyV
InChI InChI=1S/C11H13N5O3S/c1-4-5(2-17)19-10(7(4)18)16-3-13-6-8(16)14-11(12)15-9(6)20/h3,5,7,10,17-18H,1-2H2,(H3,12,14,15,20)/t5-,7-,10-/m1/s1
InChIKey QZZXFDKGFLJGTP-VISXPRAWSA-N
Mol Weight 295.32 g/mol
Molecular Formula C11H13N5O3S
Exact Mass 295.07391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24QzZTV4YSS
Name 2-amino-9-[(2R,3R,5S)-3-hydroxy-4-methylene-5-methylol-tetrahydrofuran-2-yl]-3H-purine-6-thione
Alternate Name(s) 2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylene-2-oxolanyl]-3H-purine-6-thione 2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-2-yl]-3H-purine-6-thione 2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]-3H-purine-6-thione 2-azanyl-9-[(2R,3R,5S)-5-(hydroxymethyl)-4-methylidene-3-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
CAS Registry Number 141320-69-6
Comments Less than 3 mono-isotopic peaks
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Formula C11H13N5O3S
InChI InChI=1S/C11H13N5O3S/c1-4-5(2-17)19-10(7(4)18)16-3-13-6-8(16)14-11(12)15-9(6)20/h3,5,7,10,17-18H,1-2H2,(H3,12,14,15,20)/t5-,7-,10-/m1/s1
InChIKey QZZXFDKGFLJGTP-VISXPRAWSA-N
Molecular Weight 295.317 g/mol
SMILES OC[C@]1(O[C@@]([n]2c3N=C(NC(c3nc2)=S)N)([C@@](C1=C)(O)[H])[H])[H]
SPLASH splash10-014i-0920000000-654d26ca6186ff068f67
Source of Spectrum E1-35-2292-33
Wiley ID 1574396