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S-(2-hydroxyethyl) 4-Ethoxy-3-(7-methoxy-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-benzenesulfonothioate
SpectraBase Compound ID BqhXnyJYN38
InChI InChI=1S/C20H26N4O5S2/c1-5-7-15-17-18(24(3)23-15)20(28-4)22-19(21-17)14-12-13(8-9-16(14)29-6-2)31(26,27)30-11-10-25/h8-9,12,25H,5-7,10-11H2,1-4H3
InChIKey ACCNJLGBGDJYHA-UHFFFAOYSA-N
Mol Weight 466.57 g/mol
Molecular Formula C20H26N4O5S2
Exact Mass 466.134462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vPdsYkL0Hm
Name S-(2-hydroxyethyl) 4-Ethoxy-3-(7-methoxy-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-benzenesulfonothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N4O5S2
InChI InChI=1S/C20H26N4O5S2/c1-5-7-15-17-18(24(3)23-15)20(28-4)22-19(21-17)14-12-13(8-9-16(14)29-6-2)31(26,27)30-11-10-25/h8-9,12,25H,5-7,10-11H2,1-4H3
InChIKey ACCNJLGBGDJYHA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200590027
Molecular Weight 466.571 g/mol
SMILES OCCSS(c1cc(c(cc1)OCC)-c1nc2c(c(n1)OC)[n](nc2CCC)C)(=O)=O
SPLASH splash10-029t-9476200000-9bb3b4d60593884456f1
Source of Spectrum CBD-2-475-12
Synonyms S-(2-hydroxyethyl) 4-ethoxy-3-(7-methoxy-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonothioate
Wiley ID 1790165