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2-(4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)-N-methylthioamido) benzoic acid hydrazide
SpectraBase Compound ID ERHkbaavVWq
InChI InChI=1S/C23H17Br2N5O2S/c1-26-23(33)29-28-21(31)14-7-9-16(10-8-14)30-20(13-5-3-2-4-6-13)27-19-17(22(30)32)11-15(24)12-18(19)25/h2-12H,1H3,(H,28,31)(H2,26,29,33)
InChIKey MUFWFOXORFVUQQ-UHFFFAOYSA-N
Mol Weight 587.29 g/mol
Molecular Formula C23H17Br2N5O2S
Exact Mass 584.946972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LZSA4zkJy0
Name 2-(4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)-N-methylthioamido) benzoic acid hydrazide
Alternate Name(s) 1-[[[4-(6,8-dibromo-4-oxo-2-phenyl-3-quinazolinyl)phenyl]-oxomethyl]amino]-3-methylthiourea 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-methylthiourea 1-[[4-(6,8-dibromo-4-oxo-2-phenyl-quinazolin-3-yl)benzoyl]amino]-3-methyl-thiourea 1-[[4-[6,8-bis(bromanyl)-4-oxidanylidene-2-phenyl-quinazolin-3-yl]phenyl]carbonylamino]-3-methyl-thiourea
Comments Less than 3 mono-isotopic peaks
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Formula C23H17Br2N5O2S
InChI InChI=1S/C23H17Br2N5O2S/c1-26-23(33)29-28-21(31)14-7-9-16(10-8-14)30-20(13-5-3-2-4-6-13)27-19-17(22(30)32)11-15(24)12-18(19)25/h2-12H,1H3,(H,28,31)(H2,26,29,33)
InChIKey MUFWFOXORFVUQQ-UHFFFAOYSA-N
Molecular Weight 587.290 g/mol
SMILES N(C(c1ccc(N2C(c3cc(Br)cc(c3N=C2c2ccccc2)Br)=O)cc1)=O)NC(=S)NC
SPLASH splash10-000i-0000920000-694abc77a76ca05ddf79
Source of Spectrum F2-45-3318-7c
Wiley ID 1689303