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2-(Benzylamino)-8,9-dihydro-3-methyl-6-(4-nitrophenyl)-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID 8PJCbQmuOoE
InChI InChI=1S/C21H20N6O3/c1-26-20(28)18-19(25-21(26)23-13-14-5-3-2-4-6-14)22-12-11-17(24-18)15-7-9-16(10-8-15)27(29)30/h2-10,22H,11-13H2,1H3,(H,23,25)
InChIKey GIBLWLZOVMFQQG-UHFFFAOYSA-N
Mol Weight 404.43 g/mol
Molecular Formula C21H20N6O3
Exact Mass 404.159689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEZriOWNPjn
Name 2-(Benzylamino)-8,9-dihydro-3-methyl-6-(4-nitrophenyl)-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Alternate Name(s) 2-(Benzylamino)-8,9-dihydro-3-methyl-6-(4-nitrophenyl)-3Hpyrimido[4,5-b][1,4]diazepin-4(7H)-one 2-(benzylamino)-3-methyl-6-(4-nitrophenyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
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Formula C21H20N6O3
InChI InChI=1S/C21H20N6O3/c1-26-20(28)18-19(25-21(26)23-13-14-5-3-2-4-6-14)22-12-11-17(24-18)15-7-9-16(10-8-15)27(29)30/h2-10,22H,11-13H2,1H3,(H,23,25)
InChIKey GIBLWLZOVMFQQG-UHFFFAOYSA-N
Molecular Weight 404.430 g/mol
SMILES N(C1=NC2=C(C(N1C)=O)N=C(c1ccc(N(=O)=O)cc1)CCN2)Cc1ccccc1
SPLASH splash10-0006-8925100000-c2009d6c3b7ca5cbe2c8
Source of Spectrum Y-51-199-5a
Wiley ID 1741836