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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 NMR, and 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tX4JI8K4ON
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.096416241 u
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
Molecular Weight 539.390 g/mol
SMILES CN1C(=O)N(C)C2=C(N(C(=N2)OC=2C=CC(=CC2OC)C2CC(=NN2)C2=CC=C(C=C2)Br)C)C1=O