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1-(6-METHYL-4-OXO-1-PHENYL-1,4-DIHYDRO-5H-PYRAZOLO-[3,4-D]-PYRIMIDIN-5-YL)-3-PHENYL-2-THIOXODIHYDRO-PYRIMIDINE-4,6(1H,5H)-DIONE

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1-(6-METHYL-4-OXO-1-PHENYL-1,4-DIHYDRO-5H-PYRAZOLO-[3,4-D]-PYRIMIDIN-5-YL)-3-PHENYL-2-THIOXODIHYDRO-PYRIMIDINE-4,6(1H,5H)-DIONE
SpectraBase Compound ID IC7990CCAfG
InChI InChI=1S/C22H16N6O3S/c1-14-24-20-17(13-23-26(20)16-10-6-3-7-11-16)21(31)27(14)28-19(30)12-18(29)25(22(28)32)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3
InChIKey NBBUCQKMNNWNBF-UHFFFAOYSA-N
Mol Weight 444.47 g/mol
Molecular Formula C22H16N6O3S
Exact Mass 444.10046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsHtD5dgWbn
Name 1-(6-METHYL-4-OXO-1-PHENYL-1,4-DIHYDRO-5H-PYRAZOLO-[3,4-D]-PYRIMIDIN-5-YL)-3-PHENYL-2-THIOXODIHYDRO-PYRIMIDINE-4,6(1H,5H)-DIONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N6O3S
InChI InChI=1S/C22H16N6O3S/c1-14-24-20-17(13-23-26(20)16-10-6-3-7-11-16)21(31)27(14)28-19(30)12-18(29)25(22(28)32)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3
InChIKey NBBUCQKMNNWNBF-UHFFFAOYSA-N
Literature Reference Author A.A.EL-TOMBARY
Literature Reference Citation SCI.PHARM.,81,393(2013)
Literature Reference DOI 10.3797/scipharm.1211-21
Molecular Weight 444.467 g/mol
Sample ID 73580
Solvent DMSO-D6