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6-Amino-5-(3,4-dihydroxyphenyl)-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID DQ8qsVJkc5p
InChI InChI=1S/C12H13N3O3S/c1-15-11(18)9(10(13)14-12(15)19-2)6-3-4-7(16)8(17)5-6/h3-5,16-17H,13H2,1-2H3
InChIKey GTANLHAFMANJJE-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C12H13N3O3S
Exact Mass 279.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g2Ltg3pke
Name 6-Amino-5-(3,4-dihydroxyphenyl)-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O3S
InChI InChI=1S/C12H13N3O3S/c1-15-11(18)9(10(13)14-12(15)19-2)6-3-4-7(16)8(17)5-6/h3-5,16-17H,13H2,1-2H3
InChIKey GTANLHAFMANJJE-UHFFFAOYSA-N
Molecular Weight 279.314 g/mol
SMILES Oc1cc(ccc1O)C1=C(N=C(N(C1=O)C)SC)N
SPLASH splash10-01u1-9560000000-b6ea0891c1c398f73ca6
Source of Spectrum Y-47-44-5a
Synonyms 6-Amino-5-(3,4-dihydroxyphenyl)-3-methyl-2-(methylthio)-4-pyrimidinone 6-Amino-5-(3,4-dihydroxyphenyl)-3-methyl-2-methylsulfanylpyrimidin-4-one 6-Amino-5-(3,4-dihydroxyphenyl)-3-methyl-2-methylsulfanyl-pyrimidin-4-one 6-Azanyl-5-[3,4-bis(oxidanyl)phenyl]-3-methyl-2-methylsulfanyl-pyrimidin-4-one
Wiley ID 1667078