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6-AMINO-5-(1,2-(E)-DICARBOMETHOXYVINYL)-AMINO-3-METHYL-2-METHYLTHIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 6kZ0ubMw6LR
InChI InChI=1S/C12H16N4O5S/c1-16-10(18)8(9(13)15-12(16)22-4)14-6(11(19)21-3)5-7(17)20-2/h5,14H,13H2,1-4H3/b6-5-
InChIKey KKAQZHDRVGCLJM-WAYWQWQTSA-N
Mol Weight 328.34 g/mol
Molecular Formula C12H16N4O5S
Exact Mass 328.084141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LRZktmmoXY
Name 6-Amino-5-[1',2'-bis(methoxycarbonyl)vinyl]amino-2-(methylthio)-N(3)-methyl-1,3-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O5S
InChI InChI=1S/C12H16N4O5S/c1-16-10(18)8(9(13)15-12(16)22-4)14-6(11(19)21-3)5-7(17)20-2/h5,14H,13H2,1-4H3/b6-5-
InChIKey KKAQZHDRVGCLJM-WAYWQWQTSA-N
Molecular Weight 328.343 g/mol
SMILES NC=1N=C(N(C(C1N\C(=C/C(=O)OC)C(=O)OC)=O)C)SC
SPLASH splash10-0ar9-1092000000-c9062b001d2e34e11dbe
Source of Spectrum Y-36-436-2
Synonyms (Z)-2-[[4-amino-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinyl]amino]-2-butenedioic acid dimethyl ester Dimethyl (Z)-2-[(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)amino]but-2-enedioate Dimethyl (Z)-2-[(4-amino-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-5-yl)amino]but-2-enedioate Dimethyl (Z)-2-[(4-azanyl-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-yl)amino]but-2-enedioate
Wiley ID 762186