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3-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propionic acid
SpectraBase Compound ID D46m1hVUIjD
InChI InChI=1S/C7H9N3O3S/c8-4-3-5(11)10-7(9-4)14-2-1-6(12)13/h3H,1-2H2,(H,12,13)(H3,8,9,10,11)
InChIKey AVUZNCBNWOIPHH-UHFFFAOYSA-N
Mol Weight 215.23 g/mol
Molecular Formula C7H9N3O3S
Exact Mass 215.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52xCFh72aEw
Name 3-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O3S
InChI InChI=1S/C7H9N3O3S/c8-4-3-5(11)10-7(9-4)14-2-1-6(12)13/h3H,1-2H2,(H,12,13)(H3,8,9,10,11)
InChIKey AVUZNCBNWOIPHH-UHFFFAOYSA-N
Molecular Weight 215.227 g/mol
SMILES OC(CCSC1=NC(C=C(N)N1)=O)=O
SPLASH splash10-014l-9500000000-8722eba092d335afe5aa
Synonyms 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
Wiley ID 1451579