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N-(8-Methyl-1,6-dioxo-2-phenyl-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)-N'-phenylurea
SpectraBase Compound ID I5KH0HwzTOB
InChI InChI=1S/C20H17N5O3S/c1-13-17-18(27)24(15-10-6-3-7-11-15)20(29)23(17)12-16(26)25(13)22-19(28)21-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H2,21,22,28)
InChIKey ZGRJFDMXCAGGDU-UHFFFAOYSA-N
Mol Weight 407.45 g/mol
Molecular Formula C20H17N5O3S
Exact Mass 407.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J75dCANQJbV
Name N-(8-Methyl-1,6-dioxo-2-phenyl-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)-N'-phenylurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O3S
InChI InChI=1S/C20H17N5O3S/c1-13-17-18(27)24(15-10-6-3-7-11-15)20(29)23(17)12-16(26)25(13)22-19(28)21-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H2,21,22,28)
InChIKey ZGRJFDMXCAGGDU-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 407.448 g/mol
SMILES N(N1C(=O)CN2C(N(C(C2=C1C)=O)c1ccccc1)=S)C(=O)Nc1ccccc1
SPLASH splash10-05n0-0970500000-bc0b012909df36659bfb
Source of Spectrum F5-12-4616-5ba
Synonyms 1-(8-Methyl-1,6-dioxo-2-phenyl-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)-3-phenylurea
Wiley ID 1747561