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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-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 2BciSy9dZnt
InChI InChI=1S/C27H30N6O7/c1-31-22-24(32(2)27(35)33(3)25(22)34)28-26(31)40-18-9-8-14(10-19(18)36-4)16-13-17(30-29-16)15-11-20(37-5)23(39-7)21(12-15)38-6/h8-12,16,29H,13H2,1-7H3
InChIKey OLFPYMDNGIYZSR-UHFFFAOYSA-N
Mol Weight 550.57 g/mol
Molecular Formula C27H30N6O7
Exact Mass 550.217597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hMX4mCelok
Name 5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N6O7
InChI InChI=1S/C27H30N6O7/c1-31-22-24(32(2)27(35)33(3)25(22)34)28-26(31)40-18-9-8-14(10-19(18)36-4)16-13-17(30-29-16)15-11-20(37-5)23(39-7)21(12-15)38-6/h8-12,16,29H,13H2,1-7H3
InChIKey OLFPYMDNGIYZSR-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 550.572 g/mol
SMILES N1C(CC(=N1)c1cc(c(c(c1)OC)OC)OC)c1cc(OC)c(cc1)Oc1nc2c([n]1C)C(=O)N(C)C(=O)N2C
SPLASH splash10-0udi-0000090000-1d1b53d6a676e04c1e16
Source of Spectrum EMC-93-407-6f
Synonyms 8-(2-Methoxy-4-(3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl)phenoxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
Wiley ID 1761267