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2-Amino-9-(3-deoxy-3-methylene-.beta.,D-erythro-pentofuranosyl)-6-methylthiopurine
SpectraBase Compound ID GecK406GXpo
InChI InChI=1S/C12H15N5O3S/c1-5-6(3-18)20-11(8(5)19)17-4-14-7-9(17)15-12(13)16-10(7)21-2/h4,6,8,11,18-19H,1,3H2,2H3,(H2,13,15,16)/t6-,8?,11-/m1/s1
InChIKey RDESHNNQGXRTMC-VTCKRJQYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C12H15N5O3S
Exact Mass 309.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wAFUvUEyWh
Name 2-Amino-9-(3-deoxy-3-methylene-.beta.,D-erythro-pentofuranosyl)-6-methylthiopurine
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Formula C12H15N5O3S
InChI InChI=1S/C12H15N5O3S/c1-5-6(3-18)20-11(8(5)19)17-4-14-7-9(17)15-12(13)16-10(7)21-2/h4,6,8,11,18-19H,1,3H2,2H3,(H2,13,15,16)/t6-,8?,11-/m1/s1
InChIKey RDESHNNQGXRTMC-VTCKRJQYSA-N
Molecular Weight 309.344 g/mol
SMILES Nc1nc(c2c([n]([C@@]3(O[C@@](C(C3O)=C)(CO)[H])[H])cn2)n1)SC
SPLASH splash10-0a59-0529000000-d703f573d63d8ca9be46
Source of Spectrum E1-35-2292-34
Synonyms (2R,5S)-2-(2-amino-6-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-3-ol (2R,5S)-2-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (2R,5S)-2-(2-azanyl-6-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)-4-methylidene-oxolan-3-ol (2R,5S)-2-[2-amino-6-(methylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (2R,5S)-2-[2-amino-6-(methylthio)-9-purinyl]-5-(hydroxymethyl)-4-methylene-3-oxolanol (2R,5S)-2-[2-amino-6-(methylthio)purin-9-yl]-4-methylene-5-methylol-tetrahydrofuran-3-ol
Wiley ID 1574394