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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-4-PHENYL-THIOSEMICARBAZIDE
SpectraBase Compound ID 5jfZcyztEAa
InChI InChI=1S/C15H16N8O3S/c1-21-12-11(13(25)22(2)15(21)26)23(20-18-12)8-10(24)17-19-14(27)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,24)(H2,16,19,27)
InChIKey CXNVMFCTYWRSCZ-UHFFFAOYSA-N
Mol Weight 388.41 g/mol
Molecular Formula C15H16N8O3S
Exact Mass 388.106608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RRstlkkSw8
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-4-PHENYL-THIOSEMICARBAZIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16N8O3S
InChI InChI=1S/C15H16N8O3S/c1-21-12-11(13(25)22(2)15(21)26)23(20-18-12)8-10(24)17-19-14(27)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,24)(H2,16,19,27)
InChIKey CXNVMFCTYWRSCZ-UHFFFAOYSA-N
Literature Reference Author F.A.EL-ESSAWY,A.F.KHATTAB,A.A.H.ABDEL-RAHMAN
Literature Reference Citation MH.CHEM.,138,777(2007)
Literature Reference DOI 10.1007/s00706-007-0649-7
Molecular Weight 388.404 g/mol
Sample ID 68576
Solvent DMSO-D6