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acetamide, N-(5-bromo-2-pyridinyl)-2-[(4-hydroxy-2-pyrimidinyl)thio]-
SpectraBase Compound ID HUNhAcNIlzQ
InChI InChI=1S/C11H9BrN4O2S/c12-7-1-2-8(14-5-7)15-10(18)6-19-11-13-4-3-9(17)16-11/h1-5H,6H2,(H,13,16,17)(H,14,15,18)
InChIKey GNLVBSOQCROMAO-UHFFFAOYSA-N
Mol Weight 341.18 g/mol
Molecular Formula C11H9BrN4O2S
Exact Mass 339.96296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jOctFNR0vz
Name Acetamide, N-(5-bromo-2-pyridinyl)-2-[(4-hydroxy-2-pyrimidinyl)thio]-
Comments Computed using HOSE algorithm
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Exact Mass 339.962959718 u
Formula C11H9BrN4O2S
InChI InChI=1S/C11H9BrN4O2S/c12-7-1-2-8(14-5-7)15-10(18)6-19-11-13-4-3-9(17)16-11/h1-5H,6H2,(H,13,16,17)(H,14,15,18)
InChIKey GNLVBSOQCROMAO-UHFFFAOYSA-N
Molecular Weight 341.183 g/mol
SMILES N(C(CSC=1N=C(C=CN1)O)=O)C1=NC=C(C=C1)Br