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METHYL-4-[2-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YL)-ETHYL]-BENZOATE
SpectraBase Compound ID mbZRUaCge1
InChI InChI=1S/C17H18N4O4/c1-25-16(24)10-5-2-9(3-6-10)4-7-11-8-12-13(19-14(11)22)20-17(18)21-15(12)23/h2-3,5-6,11H,4,7-8H2,1H3,(H4,18,19,20,21,22,23)
InChIKey PYWXUARJBAIWJX-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C17H18N4O4
Exact Mass 342.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77AEabyMLpl
Name METHYL-4-[2-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YL)-ETHYL]-BENZOATE
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4O4
InChI InChI=1S/C17H18N4O4/c1-25-16(24)10-5-2-9(3-6-10)4-7-11-8-12-13(19-14(11)22)20-17(18)21-15(12)23/h2-3,5-6,11H,4,7-8H2,1H3,(H4,18,19,20,21,22,23)
InChIKey PYWXUARJBAIWJX-UHFFFAOYSA-N
Literature Reference Author J.I.BORRELL,J.TEIXIDO,J.L.MATALLANA,B.MARTINEZ-TEIPEL,C.COLO MINAS,M.COSTA,M.BALC
Literature Reference Citation J.MED.CHEM.,44,2366(2001)
Literature Reference DOI 10.1021/jm990411u
Molecular Weight 342.354 g/mol
Sample ID 44615
Solvent TFA-D