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Acetamide, N-benzothiazol-2-yl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-
SpectraBase Compound ID EA4UC5V9b8g
InChI InChI=1S/C16H14N6O3S/c1-20-13-12(14(24)21(2)16(20)25)22(8-17-13)7-11(23)19-15-18-9-5-3-4-6-10(9)26-15/h3-6,8H,7H2,1-2H3,(H,18,19,23)
InChIKey ABSGSRABKMESPA-UHFFFAOYSA-N
Mol Weight 370.39 g/mol
Molecular Formula C16H14N6O3S
Exact Mass 370.08481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LIwiJOYoa0
Name Acetamide, N-benzothiazol-2-yl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.084809506 u
Formula C16H14N6O3S
InChI InChI=1S/C16H14N6O3S/c1-20-13-12(14(24)21(2)16(20)25)22(8-17-13)7-11(23)19-15-18-9-5-3-4-6-10(9)26-15/h3-6,8H,7H2,1-2H3,(H,18,19,23)
InChIKey ABSGSRABKMESPA-UHFFFAOYSA-N
Molecular Weight 370.387 g/mol
SMILES C1(N(C(C2=C(N1C)N=CN2CC(NC1=NC2=CC=CC=C2S1)=O)=O)C)=O