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6-Benzyl-8-butyl-2-methoxy-3-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID 2B61xwLwXCZ
InChI InChI=1S/C20H26N4O3/c1-4-5-11-16-19(26)24(12-14-9-7-6-8-10-14)13-15-17(21-16)22-20(27-3)23(2)18(15)25/h6-10,16,21H,4-5,11-13H2,1-3H3
InChIKey QTHZAKCHVCOEOR-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C20H26N4O3
Exact Mass 370.200491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJonz6mbz7u
Name 6-Benzyl-8-butyl-2-methoxy-3-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
Appearance Colourless solid
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Formula C20H26N4O3
InChI InChI=1S/C20H26N4O3/c1-4-5-11-16-19(26)24(12-14-9-7-6-8-10-14)13-15-17(21-16)22-20(27-3)23(2)18(15)25/h6-10,16,21H,4-5,11-13H2,1-3H3
InChIKey QTHZAKCHVCOEOR-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 370.453 g/mol
Reported Formula C20H26N4O3
SMILES N1C(C(N(CC=2C(N(C(=NC12)OC)C)=O)Cc1ccccc1)=O)CCCC
SPLASH splash10-001u-2971000000-c52c2afe5bd5eac6291a
Source of Spectrum AJC-12-SM118-8i
Wiley ID 1857402