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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-1Hpyrazole

View entire compound with spectra: 1 MS (GC)

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-1Hpyrazole
SpectraBase Compound ID IKHO9s5FLIV
InChI InChI=1S/C24H23BrN6O4/c1-29-20-21(30(2)24(33)31(3)22(20)32)26-23(29)35-18-10-7-14(11-19(18)34-4)17-12-16(27-28-17)13-5-8-15(25)9-6-13/h5-11,17,28H,12H2,1-4H3
InChIKey VSCCOXCIZQAUSY-UHFFFAOYSA-N
Mol Weight 539.39 g/mol
Molecular Formula C24H23BrN6O4
Exact Mass 538.096416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0J0qkZUMtq
Name 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-1Hpyrazole
Alternate Name(s) 8-(4-(3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-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 C24H23BrN6O4
InChI InChI=1S/C24H23BrN6O4/c1-29-20-21(30(2)24(33)31(3)22(20)32)26-23(29)35-18-10-7-14(11-19(18)34-4)17-12-16(27-28-17)13-5-8-15(25)9-6-13/h5-11,17,28H,12H2,1-4H3
InChIKey VSCCOXCIZQAUSY-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 539.390 g/mol
SMILES N1C(CC(=N1)c1ccc(cc1)Br)c1cc(OC)c(cc1)Oc1nc2c([n]1C)C(=O)N(C)C(=O)N2C
SPLASH splash10-000f-0010090000-3ef9bbd26d4d9eb824e2
Source of Spectrum EMC-93-407-6c
Wiley ID 1761264