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2-Amino-9-(2-deoxy-2-methylene-.beta.,D-erythro-pentofuranosyl)purine-6-thione
SpectraBase Compound ID dx2a5oFdMP
InChI InChI=1S/C11H13N5O3S/c1-4-7(18)5(2-17)19-10(4)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 WHKKGZYWBNJDJF-NJUACVTBSA-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 710daap2xow
Name 2-Amino-9-(2-deoxy-2-methylene-.beta.,D-erythro-pentofuranosyl)purine-6-thione
CAS Registry Number 141320-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N5O3S
InChI InChI=1S/C11H13N5O3S/c1-4-7(18)5(2-17)19-10(4)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 WHKKGZYWBNJDJF-NJUACVTBSA-N
Molecular Weight 295.317 g/mol
SMILES N1C(=NC(c2c1[n]([C@@]1(O[C@](CO)([C@](C1=C)(O)[H])[H])[H])cn2)=S)N
SPLASH splash10-016u-0590000000-a24d80c434ab562652d2
Source of Spectrum E1-35-2292-42
Synonyms 2-Amino-9-[(2R,3S,5R)-3-hydroxy-4-methylene-5-methylol-tetrahydrofuran-2-yl]-3H-purine-6-thione 2-Amino-9-[(2R,3S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methylene-2-oxolanyl]-3H-purine-6-thione 2-Amino-9-[(2R,3S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-2-yl]-3H-purine-6-thione 2-Amino-9-[(2R,3S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]-3H-purine-6-thione 2-Amino-9-[(2R,3S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]-6,9-dihydro-1H-purine-6-thione 2-Azanyl-9-[(2R,3S,5R)-5-(hydroxymethyl)-4-methylidene-3-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
Wiley ID 1574395