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4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOIC-ACID
SpectraBase Compound ID BORucV3hGuj
InChI InChI=1S/C16H17N5O4/c1-21(10-4-2-8(3-5-10)15(24)25)7-9-6-11-12(18-13(9)22)19-16(17)20-14(11)23/h2-5,9H,6-7H2,1H3,(H,24,25)(H4,17,18,19,20,22,23)
InChIKey MJNZQHASIMLCEG-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C16H17N5O4
Exact Mass 343.128054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzUmh9vC6z4
Name 4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOIC-ACID
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N5O4
InChI InChI=1S/C16H17N5O4/c1-21(10-4-2-8(3-5-10)15(24)25)7-9-6-11-12(18-13(9)22)19-16(17)20-14(11)23/h2-5,9H,6-7H2,1H3,(H,24,25)(H4,17,18,19,20,22,23)
InChIKey MJNZQHASIMLCEG-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 343.342 g/mol
Sample ID 44616
Solvent TFA-D