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5-Methyl-2-[(methylthio)methylthio]-6-veratryl-1H-pyrimidin-4-one
SpectraBase Compound ID I2KEW9be50Z
InChI InChI=1S/C16H20N2O3S2/c1-10-12(17-16(18-15(10)19)23-9-22-4)7-11-5-6-13(20-2)14(8-11)21-3/h5-6,8H,7,9H2,1-4H3,(H,17,18,19)
InChIKey BTSWHPABGVWDAM-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C16H20N2O3S2
Exact Mass 352.091535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBgz1J2OoLR
Name 5-Methyl-2-[(methylthio)methylthio]-6-veratryl-1H-pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O3S2
InChI InChI=1S/C16H20N2O3S2/c1-10-12(17-16(18-15(10)19)23-9-22-4)7-11-5-6-13(20-2)14(8-11)21-3/h5-6,8H,7,9H2,1-4H3,(H,17,18,19)
InChIKey BTSWHPABGVWDAM-UHFFFAOYSA-N
Molecular Weight 352.467 g/mol
SMILES N1C(=NC(=C(C1=O)C)Cc1cc(OC)c(cc1)OC)SCSC
SPLASH splash10-0a4i-0009000000-5ebf1086b82c593c24ce
Source of Spectrum SK-32-1373-7
Synonyms 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-(methylsulfanylmethylsulfanyl)-1H-pyrimidin-4-one 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-[(methylthio)methylthio]-1H-pyrimidin-4-one
Wiley ID 1548714