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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)-1-formyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

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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)-1-formyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 98akEXdmZRw
InChI InChI=1S/C26H26N6O5/c1-15-6-8-16(9-7-15)18-13-19(32(14-33)28-18)17-10-11-20(21(12-17)36-5)37-25-27-23-22(29(25)2)24(34)31(4)26(35)30(23)3/h6-12,14,19H,13H2,1-5H3
InChIKey NTJOXJAATBBANJ-UHFFFAOYSA-N
Mol Weight 502.53 g/mol
Molecular Formula C26H26N6O5
Exact Mass 502.196468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LOFxlpqECE
Name 5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-1-formyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N6O5
InChI InChI=1S/C26H26N6O5/c1-15-6-8-16(9-7-15)18-13-19(32(14-33)28-18)17-10-11-20(21(12-17)36-5)37-25-27-23-22(29(25)2)24(34)31(4)26(35)30(23)3/h6-12,14,19H,13H2,1-5H3
InChIKey NTJOXJAATBBANJ-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 502.531 g/mol
SMILES CN1C(=O)N(C)c2c([n](c(Oc3ccc(cc3OC)C3CC(=NN3C=O)c3ccc(cc3)C)n2)C)C1=O
SPLASH splash10-0udi-0000090000-7435578cdee7af93efe0
Source of Spectrum EMC-93-409-8d
Synonyms 5-(3-Methoxy-4-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy)phenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
Wiley ID 1761270