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Benzyl [8-methyl-2-(4-nitrophenyl)-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl]carbamate
SpectraBase Compound ID BeTPMKnJmM
InChI InChI=1S/C21H17N5O6S/c1-13-18-19(28)24(15-7-9-16(10-8-15)26(30)31)21(33)23(18)11-17(27)25(13)22-20(29)32-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,29)
InChIKey PFAOMNYRZKCFFR-UHFFFAOYSA-N
Mol Weight 467.46 g/mol
Molecular Formula C21H17N5O6S
Exact Mass 467.089954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgIuCnsfM8s
Name Benzyl [8-methyl-2-(4-nitrophenyl)-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl]carbamate
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Formula C21H17N5O6S
InChI InChI=1S/C21H17N5O6S/c1-13-18-19(28)24(15-7-9-16(10-8-15)26(30)31)21(33)23(18)11-17(27)25(13)22-20(29)32-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,29)
InChIKey PFAOMNYRZKCFFR-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 467.456 g/mol
SMILES N(N1C(C)=C2C(N(c3ccc(cc3)[N+](=O)[O-])C(N2CC1=O)=S)=O)C(OCc1ccccc1)=O
SPLASH splash10-0a4i-0900100000-226923e86204d5ed2631
Source of Spectrum F5-12-4616-5bd
Synonyms Benzyl (8-methyl-2-(4-nitrophenyl)-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)carbamate
Wiley ID 1747564