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3-Amino-6-ethyl[5-methyl-2-(.beta.-D-arabinofuranosyl-thio)-thieno[2,3-d]-pyrimidin-4-one]carboxylate
SpectraBase Compound ID A3W1lPcODSN
InChI InChI=1S/C15H19N3O7S2/c1-3-24-13(23)10-5(2)7-11(26-10)17-15(18(16)12(7)22)27-14-9(21)8(20)6(4-19)25-14/h6,8-9,14,19-21H,3-4,16H2,1-2H3/t6-,8-,9+,14+/m1/s1
InChIKey CTSYPNHXAWTOSX-ZEIJHUJHSA-N
Mol Weight 417.45 g/mol
Molecular Formula C15H19N3O7S2
Exact Mass 417.066442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95rch9AjVPk
Name 3-Amino-6-ethyl[5-methyl-2-(.beta.-D-arabinofuranosyl-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 C15H19N3O7S2
InChI InChI=1S/C15H19N3O7S2/c1-3-24-13(23)10-5(2)7-11(26-10)17-15(18(16)12(7)22)27-14-9(21)8(20)6(4-19)25-14/h6,8-9,14,19-21H,3-4,16H2,1-2H3/t6-,8-,9+,14+/m1/s1
InChIKey CTSYPNHXAWTOSX-ZEIJHUJHSA-N
Molecular Weight 417.451 g/mol
SMILES O[C@@]1([C@](O[C@]([C@]1(O)[H])(SC1=Nc2c(C(N1N)=O)c(c(C(=O)OCC)s2)C)[H])(CO)[H])[H]
SPLASH splash10-014i-0000900000-34bf5b13c45d8a03e655
Source of Spectrum F2-45-1491-14a
Synonyms 3-amino-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester ethyl 3-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate ethyl 3-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate ethyl 3-azanyl-2-[(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID 1703311