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4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-AMINO]-BENZOIC-ACID
SpectraBase Compound ID 3RosvzU55It
InChI InChI=1S/C15H15N5O4/c16-15-19-11-10(13(22)20-15)5-8(12(21)18-11)6-17-9-3-1-7(2-4-9)14(23)24/h1-4,8,17H,5-6H2,(H,23,24)(H4,16,18,19,20,21,22)
InChIKey XOJRYXLKCUXFIH-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C15H15N5O4
Exact Mass 329.112404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QhPnmrFgFs
Name 4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-AMINO]-BENZOIC-ACID
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15N5O4
InChI InChI=1S/C15H15N5O4/c16-15-19-11-10(13(22)20-15)5-8(12(21)18-11)6-17-9-3-1-7(2-4-9)14(23)24/h1-4,8,17H,5-6H2,(H,23,24)(H4,16,18,19,20,21,22)
InChIKey XOJRYXLKCUXFIH-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 329.315 g/mol
Sample ID 44617
Solvent TFA-D