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2-(Benzylamino)-3-(2-bromo-5-nitrophenyl)-3H-quinazolin-4-one
SpectraBase Compound ID 6LGjqMGp3ak
InChI InChI=1S/C21H15BrN4O3/c22-17-11-10-15(26(28)29)12-19(17)25-20(27)16-8-4-5-9-18(16)24-21(25)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24)
InChIKey AJGAVEPNUPDWSV-UHFFFAOYSA-N
Mol Weight 451.28 g/mol
Molecular Formula C21H15BrN4O3
Exact Mass 450.032753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsQgzk96Zb3
Name 2-(Benzylamino)-3-(2-bromo-5-nitrophenyl)-3H-quinazolin-4-one
Alternate Name(s) 3-(2-bromo-5-nitrophenyl)-2-[(phenylmethyl)amino]-4-quinazolinone 2-(benzylamino)-3-(2-bromo-5-nitrophenyl)quinazolin-4-one 3-(2-bromanyl-5-nitro-phenyl)-2-[(phenylmethyl)amino]quinazolin-4-one
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Formula C21H15BrN4O3
InChI InChI=1S/C21H15BrN4O3/c22-17-11-10-15(26(28)29)12-19(17)25-20(27)16-8-4-5-9-18(16)24-21(25)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24)
InChIKey AJGAVEPNUPDWSV-UHFFFAOYSA-N
Molecular Weight 451.280 g/mol
SMILES N(C=1N(C(c2c(cccc2)N1)=O)c1cc(N(=O)=O)ccc1Br)Cc1ccccc1
SPLASH splash10-00dl-5519100000-64b8c56dbac58bcf2b85
Source of Spectrum U1-2009-2498-5d
Wiley ID 1662979