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6-Cyclohexyl-3,8-dimethyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID JytP1az7gch
InChI InChI=1S/C16H24N4O2S/c1-10-14(21)20(11-7-5-4-6-8-11)9-12-13(17-10)18-16(23-3)19(2)15(12)22/h10-11,17H,4-9H2,1-3H3
InChIKey XKVSDBBQZFZQDE-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C16H24N4O2S
Exact Mass 336.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXpjyucBsJD
Name 6-Cyclohexyl-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 C16H24N4O2S
InChI InChI=1S/C16H24N4O2S/c1-10-14(21)20(11-7-5-4-6-8-11)9-12-13(17-10)18-16(23-3)19(2)15(12)22/h10-11,17H,4-9H2,1-3H3
InChIKey XKVSDBBQZFZQDE-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 336.454 g/mol
Reported Formula C16H24N4O2S
SMILES N1C(C(N(CC=2C(N(C(=NC12)SC)C)=O)C1CCCCC1)=O)C
SPLASH splash10-03dr-4893000000-9c83c7287e3c840460a1
Source of Spectrum AJC-12-SM124-8x
Wiley ID 1857413