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1-Acetyl-3-(4-bromophenyl)-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

1-Acetyl-3-(4-bromophenyl)-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID Gx94QSwBWsg
InChI InChI=1S/C26H25BrN6O5/c1-14(34)33-19(13-18(29-33)15-6-9-17(27)10-7-15)16-8-11-20(21(12-16)37-5)38-25-28-23-22(30(25)2)24(35)32(4)26(36)31(23)3/h6-12,19H,13H2,1-5H3
InChIKey DVANZQDCLISDBG-UHFFFAOYSA-N
Mol Weight 581.43 g/mol
Molecular Formula C26H25BrN6O5
Exact Mass 580.106981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17nUoRXwVk
Name 1-Acetyl-3-(4-bromophenyl)-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazole
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Formula C26H25BrN6O5
InChI InChI=1S/C26H25BrN6O5/c1-14(34)33-19(13-18(29-33)15-6-9-17(27)10-7-15)16-8-11-20(21(12-16)37-5)38-25-28-23-22(30(25)2)24(35)32(4)26(36)31(23)3/h6-12,19H,13H2,1-5H3
InChIKey DVANZQDCLISDBG-UHFFFAOYSA-N
Molecular Weight 581.427 g/mol
SMILES C1(c2ccc(Oc3nc4c(C(=O)N(C)C(=O)N4C)[n]3C)c(OC)c2)N(N=C(C1)c1ccc(cc1)Br)C(=O)C
SPLASH splash10-001i-0010090000-e7047f639719b3088483
Source of Spectrum EMC-93-408-7c
Synonyms 8-(4-(1-acetyl-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-methoxyphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1803924