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4-Thio-2'-deoxyuridine
SpectraBase Compound ID 6ZaLEyBeZeL
InChI InChI=1S/C9H12N2O4S/c12-4-6-5(13)3-8(15-6)11-2-1-7(16)10-9(11)14/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,16)/t5-,6+,8+/m0/s1
InChIKey PHNDUXLWAVSUAL-SHYZEUOFSA-N
Mol Weight 244.26 g/mol
Molecular Formula C9H12N2O4S
Exact Mass 244.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sYAgO8K03u
Name 4-Thio-2'-deoxyuridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4S
InChI InChI=1S/C9H12N2O4S/c12-4-6-5(13)3-8(15-6)11-2-1-7(16)10-9(11)14/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,16)/t5-,6+,8+/m0/s1
InChIKey PHNDUXLWAVSUAL-SHYZEUOFSA-N
Molecular Weight 244.265 g/mol
SMILES N1C(C=CN([C@]2(C[C@@]([C@](O2)(CO)[H])(O)[H])[H])C1=O)=S
SPLASH splash10-001i-9410000000-5624f1b04d3e383bd64c
Source of Spectrum C-116-11641-10
Synonyms 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-sulfanylidene-2-pyrimidinone 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-sulfanylidene-pyrimidin-2-one
Wiley ID 1246490