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9H-Purin-6-amine, N-(3-methylbutyl)-2-(methylthio)-9-pentofuranosyl-
SpectraBase Compound ID 83rJ79HtF7o
InChI InChI=1S/C16H25N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h7-9,11-12,15,22-24H,4-6H2,1-3H3,(H,17,19,20)
InChIKey UCHSYUFALMKBBW-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C16H25N5O4S
Exact Mass 383.162725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbcMzpQplkW
Name 9H-Purin-6-amine, N-(3-methylbutyl)-2-(methylthio)-9-pentofuranosyl-
CAS Registry Number 55334-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N5O4S
InChI InChI=1S/C16H25N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h7-9,11-12,15,22-24H,4-6H2,1-3H3,(H,17,19,20)
InChIKey UCHSYUFALMKBBW-UHFFFAOYSA-N
Molecular Weight 383.467 g/mol
SMILES N(CCC(C)C)c1c2nc[n](C3OC(C(C3O)O)CO)c2nc(n1)SC
SPLASH splash10-0f89-5892000000-88b80a46e20be3f676e9
Source of Spectrum AD-0-5810-0
Synonyms 2-(hydroxymethyl)-5-[6-(3-methylbutylamino)-2-(methylthio)-9-purinyl]oxolane-3,4-diol 2-(hydroxymethyl)-5-[6-(3-methylbutylamino)-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol 2-(hydroxymethyl)-5-[6-(isopentylamino)-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol 2-[6-(isoamylamino)-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
Wiley ID 55507