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6-Benzyl-3,8-dimethyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID ZqZa5neHqR
InChI InChI=1S/C17H20N4O2S/c1-11-15(22)21(9-12-7-5-4-6-8-12)10-13-14(18-11)19-17(24-3)20(2)16(13)23/h4-8,11,18H,9-10H2,1-3H3
InChIKey CJZTYTXXTXGKNJ-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C17H20N4O2S
Exact Mass 344.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GH4d8bzmcK
Name 6-Benzyl-3,8-dimethyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
Appearance Colourless solid
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Formula C17H20N4O2S
InChI InChI=1S/C17H20N4O2S/c1-11-15(22)21(9-12-7-5-4-6-8-12)10-13-14(18-11)19-17(24-3)20(2)16(13)23/h4-8,11,18H,9-10H2,1-3H3
InChIKey CJZTYTXXTXGKNJ-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 344.433 g/mol
Reported Formula C17H20N4O2S
SMILES N1C(C(N(CC=2C(N(C(=NC12)SC)C)=O)Cc1ccccc1)=O)C
SPLASH splash10-0ikm-3892000000-404642e3369bb56aa64f
Source of Spectrum AJC-12-SM121-8r
Wiley ID 1857408