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4-[2-CARBOXY-3-(2,4-DIAMINO-6-OXO-1,6-DIHYDROPYRIMIDIN-5-YL)-PROPYL]-AMINOBENZOIC-ACID
SpectraBase Compound ID Ih9mqXdNA8V
InChI InChI=1S/C15H17N5O5/c16-11-10(12(21)20-15(17)19-11)5-8(14(24)25)6-18-9-3-1-7(2-4-9)13(22)23/h1-4,8,18H,5-6H2,(H,22,23)(H,24,25)(H5,16,17,19,20,21)
InChIKey YVFYARNQTYTBAW-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C15H17N5O5
Exact Mass 347.122969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C88sR1XnWSH
Name 4-[2-CARBOXY-3-(2,4-DIAMINO-6-OXO-1,6-DIHYDROPYRIMIDIN-5-YL)-PROPYL]-AMINOBENZOIC-ACID
Compound Number 20B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N5O5
InChI InChI=1S/C15H17N5O5/c16-11-10(12(21)20-15(17)19-11)5-8(14(24)25)6-18-9-3-1-7(2-4-9)13(22)23/h1-4,8,18H,5-6H2,(H,22,23)(H,24,25)(H5,16,17,19,20,21)
InChIKey YVFYARNQTYTBAW-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 347.330 g/mol
Sample ID 44632
Solvent CDCl3