2-(.beta.-D-Galactopyranosylthio)-6,7,8,9,10-pentahydrocycloheptathieno[2,3-d]-pyrimidine-4-thione

SpectraBase Compound ID	XXhKfqSnXD
InChI	InChI=1S/C17H22N2O5S3/c20-6-8-11(21)12(22)13(23)16(24-8)27-17-18-14(25)10-7-4-2-1-3-5-9(7)26-15(10)19-17/h8,11-13,16,20-23H,1-6H2,(H,18,19,25)/t8-,11+,12+,13-,16+/m1/s1
InChIKey	FEERZWAWTAVWGH-DSERSLQPSA-N Google Search
Mol Weight	430.55 g/mol
Molecular Formula	C17H22N2O5S3
Exact Mass	430.069085 g/mol

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SpectraBase Spectrum ID	7uSFMkmjuyD
Name	2-(.beta.-D-Galactopyranosylthio)-6,7,8,9,10-pentahydrocycloheptathieno[2,3-d]-pyrimidine-4-thione
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22N2O5S3
InChI	InChI=1S/C17H22N2O5S3/c20-6-8-11(21)12(22)13(23)16(24-8)27-17-18-14(25)10-7-4-2-1-3-5-9(7)26-15(10)19-17/h8,11-13,16,20-23H,1-6H2,(H,18,19,25)/t8-,11+,12+,13-,16+/m1/s1
InChIKey	FEERZWAWTAVWGH-DSERSLQPSA-N
Molecular Weight	430.552 g/mol
SMILES	N1C(c2c(N=C1S[C@]1([C@@]([C@]([C@]([C@@](CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])sc1CCCCCc21)=S
SPLASH	splash10-004i-0000900000-fceba5d96b07e2d27a4f
Source of Spectrum	F2-45-4032-18d
Synonyms	2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidine-4-thione 2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidine-4-thione 2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidine-4-thione 2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidine-4-thione
Wiley ID	1703855