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N-[6-ethoxy-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-methylsulfanyl-purin-2-yl]ethanamide
SpectraBase Compound ID CUz0XzZvPdb
InChI InChI=1S/C15H21N5O6S/c1-4-25-12-8-11(18-14(19-12)16-6(2)22)20(15(17-8)27-3)13-10(24)9(23)7(5-21)26-13/h7,9-10,13,21,23-24H,4-5H2,1-3H3,(H,16,18,19,22)/t7-,9-,10-,13-/m1/s1
InChIKey IMNLEORGNOSKQK-QYVSTXNMSA-N
Mol Weight 399.42 g/mol
Molecular Formula C15H21N5O6S
Exact Mass 399.121255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4RiS5YSjmK
Name N-[6-ethoxy-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-methylsulfanyl-purin-2-yl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N5O6S
InChI InChI=1S/C15H21N5O6S/c1-4-25-12-8-11(18-14(19-12)16-6(2)22)20(15(17-8)27-3)13-10(24)9(23)7(5-21)26-13/h7,9-10,13,21,23-24H,4-5H2,1-3H3,(H,16,18,19,22)/t7-,9-,10-,13-/m1/s1
InChIKey IMNLEORGNOSKQK-QYVSTXNMSA-N
Molecular Weight 399.422 g/mol
SMILES N(c1nc(c2c([n]([C@]3([C@@]([C@@]([C@](O3)(CO)[H])(O)[H])(O)[H])[H])c(n2)SC)n1)OCC)C(=O)C
SPLASH splash10-014i-0092000000-50a74f35f0bdcd54d4f1
Source of Spectrum E1-37-302-15
Synonyms N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-ethoxy-8-(methylthio)-2-purinyl]acetamide N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxy-8-methylsulfanylpurin-2-yl]acetamide N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-ethoxy-8-methylsulfanyl-purin-2-yl]acetamide N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-ethoxy-8-(methylthio)purin-2-yl]acetamide
Wiley ID 1517610