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6-Benzyl-2-methoxy-3,8,9-trimethyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
SpectraBase Compound ID KPPpuauiFip
InChI InChI=1S/C18H22N4O3/c1-12-16(23)22(10-13-8-6-5-7-9-13)11-14-15(20(12)2)19-18(25-4)21(3)17(14)24/h5-9,12H,10-11H2,1-4H3
InChIKey GVLXOXQEUCSFHH-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DO5UywLuaDm
Name 6-Benzyl-2-methoxy-3,8,9-trimethyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione
Appearance Yellow solid
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Formula C18H22N4O3
InChI InChI=1S/C18H22N4O3/c1-12-16(23)22(10-13-8-6-5-7-9-13)11-14-15(20(12)2)19-18(25-4)21(3)17(14)24/h5-9,12H,10-11H2,1-4H3
InChIKey GVLXOXQEUCSFHH-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 342.399 g/mol
Reported Formula C18H22N4O3
SMILES C=1(N(C(C2=C(N1)N(C(C(N(C2)Cc1ccccc1)=O)C)C)=O)C)OC
SPLASH splash10-0006-3971000000-5bb83d24d433f6fd4390
Source of Spectrum AJC-12-SM127-11c
Wiley ID 1857358