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METHYL-4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOATE
SpectraBase Compound ID BKtEmkFOkk8
InChI InChI=1S/C17H19N5O4/c1-22(11-5-3-9(4-6-11)16(25)26-2)8-10-7-12-13(19-14(10)23)20-17(18)21-15(12)24/h3-6,10H,7-8H2,1-2H3,(H4,18,19,20,21,23,24)
InChIKey IVUGUEXVIXSYOY-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C17H19N5O4
Exact Mass 357.143704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oKTlBfpbuS
Name METHYL-4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOATE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N5O4
InChI InChI=1S/C17H19N5O4/c1-22(11-5-3-9(4-6-11)16(25)26-2)8-10-7-12-13(19-14(10)23)20-17(18)21-15(12)24/h3-6,10H,7-8H2,1-2H3,(H4,18,19,20,21,23,24)
InChIKey IVUGUEXVIXSYOY-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 357.369 g/mol
Sample ID 44613
Solvent TFA-D