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5,5'-DITHIO-BIS-(3-AMINO-6-AMILINO-2-METHYL)-(3H)-PYRIMIDIN-4-ONE
SpectraBase Compound ID 6GzZESOJfzf
InChI InChI=1S/C22H22N8O2S2/c1-13-25-19(27-15-9-5-3-6-10-15)17(21(31)29(13)23)33-34-18-20(26-14(2)30(24)22(18)32)28-16-11-7-4-8-12-16/h3-12,27-28H,23-24H2,1-2H3
InChIKey WIHQBHOHRVMNLZ-UHFFFAOYSA-N
Mol Weight 494.59 g/mol
Molecular Formula C22H22N8O2S2
Exact Mass 494.130714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrI1mj2SQRn
Name 5,5'-DITHIO-BIS-(3-AMINO-6-AMILINO-2-METHYL)-(3H)-PYRIMIDIN-4-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N8O2S2
InChI InChI=1S/C22H22N8O2S2/c1-13-25-19(27-15-9-5-3-6-10-15)17(21(31)29(13)23)33-34-18-20(26-14(2)30(24)22(18)32)28-16-11-7-4-8-12-16/h3-12,27-28H,23-24H2,1-2H3
InChIKey WIHQBHOHRVMNLZ-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,U.HAIN,R.SCHINDLER,M.GRUNER
Literature Reference Citation MH.CHEM.,125,1129(1994)
Literature Reference DOI 10.1007/BF00811521
Molecular Weight 494.589 g/mol
Solvent DMSO-D6
Source File Reference UWPR1895