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2-Amino-9-(3-deoxy-3-methylene-.beta.,D-erythro-pentofuranosyl)-6-(N,N-dimethylamino)purine
SpectraBase Compound ID IxKt2rQG8Lu
InChI InChI=1S/C13H18N6O3/c1-6-7(4-20)22-12(9(6)21)19-5-15-8-10(18(2)3)16-13(14)17-11(8)19/h5,7,9,12,20-21H,1,4H2,2-3H3,(H2,14,16,17)/t7-,9-,12-/m1/s1
InChIKey XQJULWIXIUKWMN-JWKOBGCHSA-N
Mol Weight 306.33 g/mol
Molecular Formula C13H18N6O3
Exact Mass 306.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cc1fOWei92
Name 2-Amino-9-(3-deoxy-3-methylene-.beta.,D-erythro-pentofuranosyl)-6-(N,N-dimethylamino)purine
CAS Registry Number 141320-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N6O3
InChI InChI=1S/C13H18N6O3/c1-6-7(4-20)22-12(9(6)21)19-5-15-8-10(18(2)3)16-13(14)17-11(8)19/h5,7,9,12,20-21H,1,4H2,2-3H3,(H2,14,16,17)/t7-,9-,12-/m1/s1
InChIKey XQJULWIXIUKWMN-JWKOBGCHSA-N
Molecular Weight 306.326 g/mol
SMILES Nc1nc(c2c([n]([C@@]3(O[C@@](C([C@]3(O)[H])=C)(CO)[H])[H])cn2)n1)N(C)C
SPLASH splash10-0a6s-0905000000-dcb18306143a540332db
Source of Spectrum E1-35-2291-31
Synonyms (2R,5S)-2-[2-amino-6-(dimethylamino)-9-purinyl]-5-(hydroxymethyl)-4-methylene-3-oxolanol (2R,5S)-2-[2-amino-6-(dimethylamino)-9H-purin-9-yl]-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (2R,5S)-2-[2-amino-6-(dimethylamino)purin-9-yl]-4-methylene-5-methylol-tetrahydrofuran-3-ol (2R,5S)-2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-3-ol (2R,5S)-2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (2R,5S)-2-[2-azanyl-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-4-methylidene-oxolan-3-ol
Wiley ID 1574400