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6-AMINO-5-(1,2-(E)-DICARBOMETHOXYVINYL)-AMINO-2-METHYL-THIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID FVRbNz0Hs5e
InChI InChI=1S/C11H14N4O5S/c1-19-6(16)4-5(10(18)20-2)13-7-8(12)14-11(21-3)15-9(7)17/h4,13H,1-3H3,(H3,12,14,15,17)/b5-4-
InChIKey FUAINFWCAZWQNE-PLNGDYQASA-N
Mol Weight 314.32 g/mol
Molecular Formula C11H14N4O5S
Exact Mass 314.068491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3gREOFffXq
Name 6-AMINO-5-(1,2-(E)-DICARBOMETHOXYVINYL)-AMINO-2-METHYL-THIOPYRIMIDIN-4(3H)-ONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N4O5S
InChI InChI=1S/C11H14N4O5S/c1-19-6(16)4-5(10(18)20-2)13-7-8(12)14-11(21-3)15-9(7)17/h4,13H,1-3H3,(H3,12,14,15,17)/b5-4-
InChIKey FUAINFWCAZWQNE-PLNGDYQASA-N
Literature Reference Author S.MOLINA,J.COBO,A.SANCHEZ,M.NOGUERAS,E.D.CLERCQ
Literature Reference Citation J.HETCYCL.CHEM.,36,435(1999)
Literature Reference DOI 10.1002/jhet.5570360216
Molecular Weight 314.316 g/mol
Solvent DMSO-D6
Source File Reference UWSI24600