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(E)-1-(4-Bromophenyl)-3-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1h-purine-8-yl)oxy)-3-methoxyphenyl)-prop-2-en-1-one

View entire compound with spectra: 1 MS (GC)

(E)-1-(4-Bromophenyl)-3-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1h-purine-8-yl)oxy)-3-methoxyphenyl)-prop-2-en-1-one
SpectraBase Compound ID BLIaxF14hnq
InChI InChI=1S/C24H21BrN4O5/c1-27-20-21(28(2)24(32)29(3)22(20)31)26-23(27)34-18-12-6-14(13-19(18)33-4)5-11-17(30)15-7-9-16(25)10-8-15/h5-13H,1-4H3/b11-5+
InChIKey CWGGHEMFXPKMSQ-VZUCSPMQSA-N
Mol Weight 525.36 g/mol
Molecular Formula C24H21BrN4O5
Exact Mass 524.069533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxtOeMW0fiw
Name (E)-1-(4-Bromophenyl)-3-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1h-purine-8-yl)oxy)-3-methoxyphenyl)-prop-2-en-1-one
Alternate Name(s) (E)-8-(4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenoxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21BrN4O5
InChI InChI=1S/C24H21BrN4O5/c1-27-20-21(28(2)24(32)29(3)22(20)31)26-23(27)34-18-12-6-14(13-19(18)33-4)5-11-17(30)15-7-9-16(25)10-8-15/h5-13H,1-4H3/b11-5+
InChIKey CWGGHEMFXPKMSQ-VZUCSPMQSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 525.359 g/mol
SMILES CN1C(=O)N(C)c2nc([n](c2C1=O)C)Oc1ccc(cc1OC)\C=C\C(c1ccc(cc1)Br)=O
SPLASH splash10-00b9-0000090000-f83ac8fd9a578e2a4230
Source of Spectrum EMC-93-406-5c
Wiley ID 1761258