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6-Amino-5-(3,4-dihydroxy-5-methoxyphenyl)-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID JesN7S8Zij7
InChI InChI=1S/C13H15N3O4S/c1-16-12(19)9(11(14)15-13(16)21-3)6-4-7(17)10(18)8(5-6)20-2/h4-5,17-18H,14H2,1-3H3
InChIKey PBCRAWYOPUPNPC-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C13H15N3O4S
Exact Mass 309.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IUQZ706ca8
Name 6-Amino-5-(3,4-dihydroxy-5-methoxyphenyl)-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4S
InChI InChI=1S/C13H15N3O4S/c1-16-12(19)9(11(14)15-13(16)21-3)6-4-7(17)10(18)8(5-6)20-2/h4-5,17-18H,14H2,1-3H3
InChIKey PBCRAWYOPUPNPC-UHFFFAOYSA-N
Molecular Weight 309.340 g/mol
SMILES Oc1cc(cc(c1O)OC)C1=C(N=C(N(C1=O)C)SC)N
SPLASH splash10-0a4l-7309000000-42c23a6d9e36e525145f
Source of Spectrum Y-47-44-5c
Synonyms 6-Amino-5-(3,4-dihydroxy-5-methoxyphenyl)-3-methyl-2-(methylthio)-4-pyrimidinone 6-Amino-5-(3,4-dihydroxy-5-methoxyphenyl)-3-methyl-2-methylsulfanylpyrimidin-4-one 6-Amino-5-(3,4-dihydroxy-5-methoxy-phenyl)-3-methyl-2-methylsulfanyl-pyrimidin-4-one 6-Azanyl-5-[3-methoxy-4,5-bis(oxidanyl)phenyl]-3-methyl-2-methylsulfanyl-pyrimidin-4-one
Wiley ID 1667076