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Benzyl N-[2-(4-chlorophenyl)-8-methyl-6-methylene-1-oxo-3-thioxo-1,2,3,5,7-hexahydroimidazo[1,5-a]pyrazin-7-yl]carbamate
SpectraBase Compound ID H27rdnNGRzZ
InChI InChI=1S/C23H21ClN4O3S/c1-3-19-20-21(29)27(18-11-9-17(24)10-12-18)23(32)26(20)13-15(2)28(19)25-22(30)31-14-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,25,30)
InChIKey FMJCUKZMRSALSR-UHFFFAOYSA-N
Mol Weight 468.96 g/mol
Molecular Formula C23H21ClN4O3S
Exact Mass 468.102289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJ7qEg5l1z6
Name Benzyl N-[2-(4-chlorophenyl)-8-methyl-6-methylene-1-oxo-3-thioxo-1,2,3,5,7-hexahydroimidazo[1,5-a]pyrazin-7-yl]carbamate
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Formula C23H21ClN4O3S
InChI InChI=1S/C23H21ClN4O3S/c1-3-19-20-21(29)27(18-11-9-17(24)10-12-18)23(32)26(20)13-15(2)28(19)25-22(30)31-14-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,25,30)
InChIKey FMJCUKZMRSALSR-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 468.959 g/mol
SMILES N(N1C(CN2C(N(c3ccc(cc3)Cl)C(C2=C1CC)=O)=S)=C)C(=O)OCc1ccccc1
SPLASH splash10-00dj-0901100000-7de2c35ad0e9a9e25ddf
Source of Spectrum F5-12-4615-5af
Synonyms Benzyl (2-(4-chlorophenyl)-8-ethyl-6-methylene-1-oxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)carbamate
Wiley ID 1747559