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2-(3'-Benzyl-6',8'-dibromo-4'-oxo-3',4'-dihydroquinazolin-2'-yl)-3-(benzylamino)-acrylonitrile
SpectraBase Compound ID 83GVPMgjKOY
InChI InChI=1S/C25H18Br2N4O/c26-20-11-21-23(22(27)12-20)30-24(31(25(21)32)16-18-9-5-2-6-10-18)19(13-28)15-29-14-17-7-3-1-4-8-17/h1-12,15,29H,14,16H2/b19-15-
InChIKey QRGLEFZYZWBWBR-CYVLTUHYSA-N
Mol Weight 550.25 g/mol
Molecular Formula C25H18Br2N4O
Exact Mass 547.984737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WkrZIoUM0r
Name 2-(3'-Benzyl-6',8'-dibromo-4'-oxo-3',4'-dihydroquinazolin-2'-yl)-3-(benzylamino)-acrylonitrile
Alternate Name(s) (2Z)-3-(benzylamino)-2-(3-benzyl-6,8-dibromo-4-oxo-3,4-dihydro-2-quinazolinyl)-2-propenenitrile
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Formula C25H18Br2N4O
InChI InChI=1S/C25H18Br2N4O/c26-20-11-21-23(22(27)12-20)30-24(31(25(21)32)16-18-9-5-2-6-10-18)19(13-28)15-29-14-17-7-3-1-4-8-17/h1-12,15,29H,14,16H2/b19-15-
InChIKey QRGLEFZYZWBWBR-CYVLTUHYSA-N
Molecular Weight 550.254 g/mol
SMILES N(\C=C/(C=1N(C(c2c(c(Br)cc(c2)Br)N1)=O)Cc1ccccc1)C#N)Cc1ccccc1
SPLASH splash10-0a4l-6900000000-2e9728e2f2640cea2d28
Source of Spectrum AJ-43-1192-10
Wiley ID 1594231