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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)acetamide
SpectraBase Compound ID 2LbH1lKB6PZ
InChI InChI=1S/C16H21N7O3S/c1-16(2,3)6-10-19-20-14(27-10)18-9(24)7-23-8-17-11-12(23)21(4)15(26)22(5)13(11)25/h8H,6-7H2,1-5H3,(H,18,20,24)
InChIKey YFBHRCHIVCYZSU-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C16H21N7O3S
Exact Mass 391.142659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgdWfy4XqL0
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)acetamide
Alternate Name(s) 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-N-[5-(2,2-dimethyl-propyl)-[1,3,4]thiadiazol-2-yl]-acetamide
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Formula C16H21N7O3S
InChI InChI=1S/C16H21N7O3S/c1-16(2,3)6-10-19-20-14(27-10)18-9(24)7-23-8-17-11-12(23)21(4)15(26)22(5)13(11)25/h8H,6-7H2,1-5H3,(H,18,20,24)
InChIKey YFBHRCHIVCYZSU-UHFFFAOYSA-N
Molecular Weight 391.450 g/mol
SMILES N(C(=O)C[n]1cnc2C(N(C(N(c12)C)=O)C)=O)c1sc(nn1)CC(C)(C)C
SPLASH splash10-0005-7900000000-13871fe5187dae1ba628
Wiley ID 1444891