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3-methyl-2-(methylthio)-6-phenyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID EXD993Eg3Cu
InChI InChI=1S/C15H16N4O2S/c1-18-14(21)11-9-19(10-6-4-3-5-7-10)12(20)8-16-13(11)17-15(18)22-2/h3-7,16H,8-9H2,1-2H3
InChIKey VLCWHGHLOQITOS-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C15H16N4O2S
Exact Mass 316.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQJYh3iu9g0
Name 3-methyl-2-(methylthio)-6-phenyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
Appearance Colourless solid
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Formula C15H16N4O2S
InChI InChI=1S/C15H16N4O2S/c1-18-14(21)11-9-19(10-6-4-3-5-7-10)12(20)8-16-13(11)17-15(18)22-2/h3-7,16H,8-9H2,1-2H3
InChIKey VLCWHGHLOQITOS-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 316.379 g/mol
Reported Formula C15H16N4O2S
SMILES N1CC(N(CC=2C(N(C(=NC12)SC)C)=O)c1ccccc1)=O
SPLASH splash10-0f6t-3901000000-ad351426d6296b01bd53
Source of Spectrum AJC-12-SM120-8n
Wiley ID 1857405