3-Amino-6-acetyl-5-methyl-2-(.beta.-D-galactopyranosyl-thio)-thieno[2,3-d]pyrimidin-4-one

SpectraBase Compound ID	HLBJ0B6tIhu
InChI	InChI=1S/C15H19N3O7S2/c1-4-7-12(26-11(4)5(2)20)17-15(18(16)13(7)24)27-14-10(23)9(22)8(21)6(3-19)25-14/h6,8-10,14,19,21-23H,3,16H2,1-2H3/t6-,8+,9+,10-,14+/m1/s1
InChIKey	WBANACPPZUETPN-JNBLJORFSA-N Google Search
Mol Weight	417.45 g/mol
Molecular Formula	C15H19N3O7S2
Exact Mass	417.066442 g/mol

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SpectraBase Spectrum ID	Kmzq3hprJ65
Name	3-Amino-6-acetyl-5-methyl-2-(.beta.-D-galactopyranosyl-thio)-thieno[2,3-d]pyrimidin-4-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H19N3O7S2
InChI	InChI=1S/C15H19N3O7S2/c1-4-7-12(26-11(4)5(2)20)17-15(18(16)13(7)24)27-14-10(23)9(22)8(21)6(3-19)25-14/h6,8-10,14,19,21-23H,3,16H2,1-2H3/t6-,8+,9+,10-,14+/m1/s1
InChIKey	WBANACPPZUETPN-JNBLJORFSA-N
Molecular Weight	417.451 g/mol
SMILES	NN1C(S[C@]2([C@@]([C@]([C@]([C@@](CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H])=Nc2c(C1=O)c(c(s2)C(=O)C)C
SPLASH	splash10-014i-0000900000-34bf5b13c45d8a03e655
Source of Spectrum	F2-45-1492-15d
Synonyms	6-acetyl-3-amino-5-methyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-4-thieno[2,3-d]pyrimidinone 6-acetyl-3-amino-5-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one 6-acetyl-3-amino-5-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-azanyl-6-ethanoyl-2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-5-methyl-thieno[2,3-d]pyrimidin-4-one
Wiley ID	1703306