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1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(2-PHENYLETHYNYL)-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE

View entire compound with spectra: 1 NMR

1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(2-PHENYLETHYNYL)-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE
SpectraBase Compound ID H8AeLkfuyAZ
InChI InChI=1S/C21H22N6O3/c1-26(2)13-24-20-19-15(9-8-14-6-4-3-5-7-14)25-27(21(19)23-12-22-20)18-10-16(29)17(11-28)30-18/h3-7,12-13,16-18,28-29H,10-11H2,1-2H3/b24-13+/t16-,17+,18+/m1/s1
InChIKey QJDOWNVIFJLYNL-LYHHFFHTSA-N
Mol Weight 406.45 g/mol
Molecular Formula C21H22N6O3
Exact Mass 406.175339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqHf9ezHdxz
Name 1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(2-PHENYLETHYNYL)-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N6O3
InChI InChI=1S/C21H22N6O3/c1-26(2)13-24-20-19-15(9-8-14-6-4-3-5-7-14)25-27(21(19)23-12-22-20)18-10-16(29)17(11-28)30-18/h3-7,12-13,16-18,28-29H,10-11H2,1-2H3/b24-13+/t16-,17+,18+/m1/s1
InChIKey QJDOWNVIFJLYNL-LYHHFFHTSA-N
Literature Reference Author F.SEELA,M.ZULAUF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,479(1999)
Literature Reference DOI 10.1039/a808769e
Molecular Weight 406.444 g/mol
Solvent DMSO-D6
Source File Reference UWGE3365