2-(2',3',5'-Tri-O-acetyl-b-D-arabinofuranosylthio)-6,7,8,9,10-pentahydrocycloheptathieno-[2,3-d]pyrimidine-4-thione

SpectraBase Compound ID	7dUBxneUq3l
InChI	InChI=1S/C22H26N2O7S3/c1-10(25)28-9-14-17(29-11(2)26)18(30-12(3)27)21(31-14)34-22-23-19(32)16-13-7-5-4-6-8-15(13)33-20(16)24-22/h14,17-18,21H,4-9H2,1-3H3,(H,23,24,32)/t14-,17-,18+,21+/m1/s1
InChIKey	HHGJSFPFAGIWKJ-XXLATIFVSA-N Google Search
Mol Weight	526.64 g/mol
Molecular Formula	C22H26N2O7S3
Exact Mass	526.090215 g/mol

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SpectraBase Spectrum ID	AVLrg5j7XLz
Name	2-(2',3',5'-Tri-O-acetyl-b-D-arabinofuranosylthio)-6,7,8,9,10-pentahydrocycloheptathieno-[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	C22H26N2O7S3
InChI	InChI=1S/C22H26N2O7S3/c1-10(25)28-9-14-17(29-11(2)26)18(30-12(3)27)21(31-14)34-22-23-19(32)16-13-7-5-4-6-8-15(13)33-20(16)24-22/h14,17-18,21H,4-9H2,1-3H3,(H,23,24,32)/t14-,17-,18+,21+/m1/s1
InChIKey	HHGJSFPFAGIWKJ-XXLATIFVSA-N
Molecular Weight	526.637 g/mol
SMILES	N1C(c2c(N=C1S[C@]1([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])sc1CCCCCc21)=S
SPLASH	splash10-004i-0000090000-d8ad61b8b6e95dc27848
Source of Spectrum	F2-45-4032-13b
Synonyms	acetic acid [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[(4-sulfanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-2-oxolanyl]methyl ester [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[(4-sulfanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]oxolan-2-yl]methyl acetate [(2R,3R,4S,5S)-3,4-diacetoxy-5-[(4-thioxo-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]tetrahydrofuran-2-yl]methyl acetate [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[(4-sulfanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]oxolan-2-yl]methyl ethanoate
Wiley ID	1703865