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

View entire compound with spectra: 1 MS (GC)

3-(4-Chlorophenyl)-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-1-formyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID KsOdm3y7h5Z
InChI InChI=1S/C25H23ClN6O5/c1-29-21-22(30(2)25(35)31(3)23(21)34)27-24(29)37-19-10-7-15(11-20(19)36-4)18-12-17(28-32(18)13-33)14-5-8-16(26)9-6-14/h5-11,13,18H,12H2,1-4H3
InChIKey DQAKNRZVRINAKP-UHFFFAOYSA-N
Mol Weight 522.95 g/mol
Molecular Formula C25H23ClN6O5
Exact Mass 522.141846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeWetmG9ZwY
Name 3-(4-Chlorophenyl)-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-1-formyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23ClN6O5
InChI InChI=1S/C25H23ClN6O5/c1-29-21-22(30(2)25(35)31(3)23(21)34)27-24(29)37-19-10-7-15(11-20(19)36-4)18-12-17(28-32(18)13-33)14-5-8-16(26)9-6-14/h5-11,13,18H,12H2,1-4H3
InChIKey DQAKNRZVRINAKP-UHFFFAOYSA-N
Molecular Weight 522.949 g/mol
SMILES C1(c2ccc(Oc3nc4c(C(=O)N(C)C(=O)N4C)[n]3C)c(OC)c2)N(N=C(C1)c1ccc(cc1)Cl)C=O
SPLASH splash10-00di-0000190000-8be41559b009a16c17d8
Source of Spectrum EMC-93-409-8b
Synonyms 3-(4-Chlorophenyl)-5-(3-methoxy-4-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy)phenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
Wiley ID 1803927