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

View entire compound with spectra: 1 MS (GC)

5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 8TtVWLjmTsW
InChI InChI=1S/C24H24N6O4/c1-28-20-21(29(2)24(32)30(3)22(20)31)25-23(28)34-18-11-10-15(12-19(18)33-4)17-13-16(26-27-17)14-8-6-5-7-9-14/h5-12,17,27H,13H2,1-4H3
InChIKey MJKDRUIDSYXTJB-UHFFFAOYSA-N
Mol Weight 460.49 g/mol
Molecular Formula C24H24N6O4
Exact Mass 460.185903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGknHQsRgo5
Name 5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
Alternate Name(s) 8-(2-Methoxy-4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenoxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N6O4
InChI InChI=1S/C24H24N6O4/c1-28-20-21(29(2)24(32)30(3)22(20)31)25-23(28)34-18-11-10-15(12-19(18)33-4)17-13-16(26-27-17)14-8-6-5-7-9-14/h5-12,17,27H,13H2,1-4H3
InChIKey MJKDRUIDSYXTJB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 460.494 g/mol
SMILES N1C(CC(=N1)c1ccccc1)c1cc(OC)c(cc1)Oc1nc2c([n]1C)C(=O)N(C)C(=O)N2C
SPLASH splash10-03di-0120900000-4ab258e07f3a7e97a664
Source of Spectrum EMC-93-407-6a
Wiley ID 1761262