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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-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 NMR, and 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-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID FJX1gpRztKs
InChI InChI=1S/C28H30N6O8/c1-31-23-25(32(2)28(37)33(3)26(23)36)29-27(31)42-19-9-8-15(10-20(19)38-4)18-13-17(30-34(18)14-35)16-11-21(39-5)24(41-7)22(12-16)40-6/h8-12,14,18H,13H2,1-7H3
InChIKey OFWLJMKWANGWHE-UHFFFAOYSA-N
Mol Weight 578.58 g/mol
Molecular Formula C28H30N6O8
Exact Mass 578.212512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4MSGQH71xQ
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-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N6O8
InChI InChI=1S/C28H30N6O8/c1-31-23-25(32(2)28(37)33(3)26(23)36)29-27(31)42-19-9-8-15(10-20(19)38-4)18-13-17(30-34(18)14-35)16-11-21(39-5)24(41-7)22(12-16)40-6/h8-12,14,18H,13H2,1-7H3
InChIKey OFWLJMKWANGWHE-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 578.582 g/mol
SMILES CN1C(=O)N(C)c2c(C1=O)[n](C)c(Oc1ccc(C3CC(=NN3C=O)c3cc(c(c(c3)OC)OC)OC)cc1OC)n2
SPLASH splash10-004i-0010090000-649fb193391e9e632d6a
Source of Spectrum EMC-93-409-8f
Synonyms 5-(3-Methoxy-4-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy)phenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
Wiley ID 1761272