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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-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)-1-formyl-3-phenyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID CQVRYzH6OKT
InChI InChI=1S/C25H24N6O5/c1-28-21-22(29(2)25(34)30(3)23(21)33)26-24(28)36-19-11-10-16(12-20(19)35-4)18-13-17(27-31(18)14-32)15-8-6-5-7-9-15/h5-12,14,18H,13H2,1-4H3
InChIKey XORRKUOTWYZTAF-UHFFFAOYSA-N
Mol Weight 488.5 g/mol
Molecular Formula C25H24N6O5
Exact Mass 488.180818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVVWiCL8McV
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-phenyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N6O5
InChI InChI=1S/C25H24N6O5/c1-28-21-22(29(2)25(34)30(3)23(21)33)26-24(28)36-19-11-10-16(12-20(19)35-4)18-13-17(27-31(18)14-32)15-8-6-5-7-9-15/h5-12,14,18H,13H2,1-4H3
InChIKey XORRKUOTWYZTAF-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 488.504 g/mol
SMILES CN1C(=O)N(C)c2c([n](c(n2)Oc2ccc(cc2OC)C2CC(=NN2C=O)c2ccccc2)C)C1=O
SPLASH splash10-000i-0000900000-e2204d58676fd85e3a1a
Source of Spectrum EMC-93-408-8a
Synonyms 5-(3-Methoxy-4-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy)phenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
Wiley ID 1761269