For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-2-[4-amino-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinyl]-2-butenedioic acid dimethyl ester
SpectraBase Compound ID 6RdOQpzq0et
InChI InChI=1S/C12H15N3O5S/c1-15-10(17)8(9(13)14-12(15)21-4)6(11(18)20-3)5-7(16)19-2/h5H,13H2,1-4H3/b6-5+
InChIKey AWLQFAZFIALDDA-AATRIKPKSA-N
Mol Weight 313.33 g/mol
Molecular Formula C12H15N3O5S
Exact Mass 313.073242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 91RdPyZOBYL
Name (E)-2-[4-amino-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinyl]-2-butenedioic acid dimethyl ester
Alternate Name(s) (E)-2-[4-amino-6-keto-1-methyl-2-(methylthio)pyrimidin-5-yl]but-2-enedioic acid dimethyl ester Dimethyl (E)-2-(4-amino-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-5-yl)but-2-enedioate Dimethyl (E)-2-(4-azanyl-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-yl)but-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O5S
InChI InChI=1S/C12H15N3O5S/c1-15-10(17)8(9(13)14-12(15)21-4)6(11(18)20-3)5-7(16)19-2/h5H,13H2,1-4H3/b6-5+
InChIKey AWLQFAZFIALDDA-AATRIKPKSA-N
Molecular Weight 313.328 g/mol
SMILES NC=1N=C(SC)N(C(C1\C(=C/C(=O)OC)C(=O)OC)=O)C
SPLASH splash10-0002-0090000000-bf72539da8b7be60d688
Source of Spectrum F-50-10353-5
Wiley ID 789233