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5-(2-AMINOPYRIMIDIN-4-YL)-4-HYDROXY-9-TOSYLAMINOPYRIDO-[3',2':4,5]-PYRROLO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID FA7yuGFnpPo
InChI InChI=1S/C21H17N7O3S/c1-12-2-4-13(5-3-12)32(30,31)27-21-25-10-7-15-17(14-6-9-24-20(22)26-14)18-16(29)8-11-23-19(18)28(15)21/h2-11H,1H3,(H,23,29)(H,25,27)(H2,22,24,26)
InChIKey WHKANZAKGYOPEH-UHFFFAOYSA-N
Mol Weight 447.47 g/mol
Molecular Formula C21H17N7O3S
Exact Mass 447.111359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ivlfybe9W1H
Name 5-(2-AMINOPYRIMIDIN-4-YL)-4-HYDROXY-9-TOSYLAMINOPYRIDO-[3',2':4,5]-PYRROLO-[1,2-C]-PYRIMIDINE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N7O3S
InChI InChI=1S/C21H17N7O3S/c1-12-2-4-13(5-3-12)32(30,31)27-21-25-10-7-15-17(14-6-9-24-20(22)26-14)18-16(29)8-11-23-19(18)28(15)21/h2-11H,1H3,(H,23,29)(H,25,27)(H2,22,24,26)
InChIKey WHKANZAKGYOPEH-UHFFFAOYSA-N
Literature Reference Author A.AHAIDAR,D.FERNANDEZ,G.DANELON,C.CUEVAS,I.MANZANARES,F.ALBE RICIO,J.A.JOULE,M.AL
Literature Reference Citation J.ORG.CHEM.,68,10020(2003)
Literature Reference DOI 10.1021/jo035332b
Molecular Weight 447.471 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU28461