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3-AMINO-7-METHYL-5-PHENYL-2-THIOCARBAMOYL-2H,3AH,5H,7H,7AH-PYRAZOLO-[3,4-D]-PYRIMIDIN-4,6-DIONE
SpectraBase Compound ID GMeNcYf1wDd
InChI InChI=1S/C13H12N6O2S/c1-17-10-8(9(14)19(16-10)12(15)22)11(20)18(13(17)21)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H2,15,22)
InChIKey UPZPZJZXYGXIKD-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C13H12N6O2S
Exact Mass 316.074245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BITK7DHo4TU
Name 3-AMINO-7-METHYL-5-PHENYL-2-THIOCARBAMOYL-2H,3AH,5H,7H,7AH-PYRAZOLO-[3,4-D]-PYRIMIDIN-4,6-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N6O2S
InChI InChI=1S/C13H12N6O2S/c1-17-10-8(9(14)19(16-10)12(15)22)11(20)18(13(17)21)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H2,15,22)
InChIKey UPZPZJZXYGXIKD-UHFFFAOYSA-N
Literature Reference Author M.GELBIN,D.MARTIN
Literature Reference Citation J.PRAKT.CHEM.,329,753(1987)
Literature Reference DOI 10.1002/prac.19873290502
Molecular Weight 316.337 g/mol
Solvent DMSO-D6
Source File Reference UWED14819