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Tert-Butyl N-(2-benzyl-8-ethyl-6-methylene-1-oxo-3-thioxo-1,2,3,5,7-hexahydroimidazo[1,5-a]pyrazin-7-yl)carbamate
SpectraBase Compound ID LBJk6FoSreG
InChI InChI=1S/C21H26N4O3S/c1-6-16-17-18(26)24(13-15-10-8-7-9-11-15)20(29)23(17)12-14(2)25(16)22-19(27)28-21(3,4)5/h7-11H,2,6,12-13H2,1,3-5H3,(H,22,27)
InChIKey JODOCQFCCYZXHW-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oxFCyNzahE
Name Tert-Butyl N-(2-benzyl-8-ethyl-6-methylene-1-oxo-3-thioxo-1,2,3,5,7-hexahydroimidazo[1,5-a]pyrazin-7-yl)carbamate
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Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c1-6-16-17-18(26)24(13-15-10-8-7-9-11-15)20(29)23(17)12-14(2)25(16)22-19(27)28-21(3,4)5/h7-11H,2,6,12-13H2,1,3-5H3,(H,22,27)
InChIKey JODOCQFCCYZXHW-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 414.524 g/mol
SMILES N(N1C(CN2C(=C1CC)C(=O)N(Cc1ccccc1)C2=S)=C)C(=O)OC(C)(C)C
SPLASH splash10-05fs-0935200000-9c9bad07faa711e77008
Source of Spectrum F5-12-4615-5ae
Synonyms tert-Butyl (2-benzyl-8-ethyl-6-methylene-1-oxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)carbamate
Wiley ID 1747558