2-(.beta.-D-Glucopyranosylthio)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidine-4-thione

SpectraBase Compound ID	8OUXQjCYeCg
InChI	InChI=1S/C16H20N2O5S3/c19-5-7-10(20)11(21)12(22)15(23-7)26-16-17-13(24)9-6-3-1-2-4-8(6)25-14(9)18-16/h7,10-12,15,19-22H,1-5H2,(H,17,18,24)/t7-,10-,11+,12-,15+/m1/s1
InChIKey	LRCWDNBWXBOOFB-YBLVNJCRSA-N Google Search
Mol Weight	416.53 g/mol
Molecular Formula	C16H20N2O5S3
Exact Mass	416.053435 g/mol

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SpectraBase Spectrum ID	DFNNDJpjPBF
Name	2-(.beta.-D-Glucopyranosylthio)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidine-4-thione
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H20N2O5S3
InChI	InChI=1S/C16H20N2O5S3/c19-5-7-10(20)11(21)12(22)15(23-7)26-16-17-13(24)9-6-3-1-2-4-8(6)25-14(9)18-16/h7,10-12,15,19-22H,1-5H2,(H,17,18,24)/t7-,10-,11+,12-,15+/m1/s1
InChIKey	LRCWDNBWXBOOFB-YBLVNJCRSA-N
Molecular Weight	416.525 g/mol
SMILES	N1C(c2c(N=C1S[C@]1([C@@]([C@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])sc1CCCCc21)=S
SPLASH	splash10-014i-0000900000-b429084456bfd7da8b7a
Source of Spectrum	F2-45-4032-18a
Synonyms	2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidine-4-thione 2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione
Wiley ID	1703858