3-Amino-6-ethyl[5-methyl-2-(b-D-glucopyranosyl-thio)-thieno-[2,3-d]pyrimidin-4-one]carboxylate

SpectraBase Compound ID	DHvlCmpOhF8
InChI	InChI=1S/C16H21N3O8S2/c1-3-26-14(25)11-5(2)7-12(28-11)18-16(19(17)13(7)24)29-15-10(23)9(22)8(21)6(4-20)27-15/h6,8-10,15,20-23H,3-4,17H2,1-2H3/t6-,8-,9+,10-,15+/m1/s1
InChIKey	VBLKINUHDLLTIN-HCKIJKQASA-N Google Search
Mol Weight	447.48 g/mol
Molecular Formula	C16H21N3O8S2
Exact Mass	447.077007 g/mol

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SpectraBase Spectrum ID	Ky1j1KMpUgi
Name	3-Amino-6-ethyl[5-methyl-2-(b-D-glucopyranosyl-thio)-thieno-[2,3-d]pyrimidin-4-one]carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H21N3O8S2
InChI	InChI=1S/C16H21N3O8S2/c1-3-26-14(25)11-5(2)7-12(28-11)18-16(19(17)13(7)24)29-15-10(23)9(22)8(21)6(4-20)27-15/h6,8-10,15,20-23H,3-4,17H2,1-2H3/t6-,8-,9+,10-,15+/m1/s1
InChIKey	VBLKINUHDLLTIN-HCKIJKQASA-N
Molecular Weight	447.477 g/mol
SMILES	O[C@]1([C@@]([C@](O[C@]([C@@]1(O)[H])(SC1=Nc2c(C(N1N)=O)c(c(C(=O)OCC)s2)C)[H])(CO)[H])(O)[H])[H]
SPLASH	splash10-0002-0000900000-d63e11b0941f8d21f815
Source of Spectrum	F2-45-1491-15a
Synonyms	3-amino-5-methyl-4-oxo-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester ethyl 3-amino-5-methyl-4-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate ethyl 3-amino-5-methyl-4-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate ethyl 3-azanyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID	1703309