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Ethyl 2-(8-methyl-1,6-dioxo-7-(3-phenylureido)-3-thioxo-6,7-dihydroimidazo[1,5-a]pyrazin-2(1H,3H,5H)-yl)acetate
SpectraBase Compound ID 4fJgY9F4DBl
InChI InChI=1S/C18H19N5O5S/c1-3-28-14(25)10-22-16(26)15-11(2)23(13(24)9-21(15)18(22)29)20-17(27)19-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,19,20,27)
InChIKey SUOJQXSBKYSTIN-UHFFFAOYSA-N
Mol Weight 417.44 g/mol
Molecular Formula C18H19N5O5S
Exact Mass 417.11069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A4hj1jjMm
Name Ethyl 2-(8-methyl-1,6-dioxo-7-(3-phenylureido)-3-thioxo-6,7-dihydroimidazo[1,5-a]pyrazin-2(1H,3H,5H)-yl)acetate
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Formula C18H19N5O5S
InChI InChI=1S/C18H19N5O5S/c1-3-28-14(25)10-22-16(26)15-11(2)23(13(24)9-21(15)18(22)29)20-17(27)19-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,19,20,27)
InChIKey SUOJQXSBKYSTIN-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 417.440 g/mol
SMILES N(N1C(=O)CN2C(N(C(C2=C1C)=O)CC(OCC)=O)=S)C(=O)Nc1ccccc1
SPLASH splash10-014r-0930300000-58c770fed804135328bb
Source of Spectrum F5-12-4617-5bh
Wiley ID 1747568