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6,8-Diamino-2,3-dihydro-2-phenyl-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]diazepine
SpectraBase Compound ID JzQHgSo792u
InChI InChI=1S/C21H19N7O2/c22-19-18-20(27-21(23)26-19)25-17(14-4-2-1-3-5-14)12-15(24-18)9-6-13-7-10-16(11-8-13)28(29)30/h1-11,17H,12H2,(H5,22,23,25,26,27)/b9-6+
InChIKey ZPVBORNWBHHQLK-RMKNXTFCSA-N
Mol Weight 401.43 g/mol
Molecular Formula C21H19N7O2
Exact Mass 401.160023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94SGtKv0lZH
Name 6,8-Diamino-2,3-dihydro-2-phenyl-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]diazepine
Alternate Name(s) 6-[(E)-2-(4-nitrophenyl)vinyl]-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine 6-[(E)-2-(4-nitrophenyl)ethenyl]-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
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Formula C21H19N7O2
InChI InChI=1S/C21H19N7O2/c22-19-18-20(27-21(23)26-19)25-17(14-4-2-1-3-5-14)12-15(24-18)9-6-13-7-10-16(11-8-13)28(29)30/h1-11,17H,12H2,(H5,22,23,25,26,27)/b9-6+
InChIKey ZPVBORNWBHHQLK-RMKNXTFCSA-N
Molecular Weight 401.430 g/mol
SMILES N1C(CC(=Nc2c1nc(nc2N)N)\C=C\c1ccc(N(=O)=O)cc1)c1ccccc1
SPLASH splash10-0w29-4381900000-5e978a73926ef638fd88
Source of Spectrum Y-36-936-3
Wiley ID 762605