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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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID Glg5Roa8T5h
InChI InChI=1S/C25H26N6O5/c1-29-21-22(30(2)25(33)31(3)23(21)32)26-24(29)36-19-11-8-15(12-20(19)35-5)18-13-17(27-28-18)14-6-9-16(34-4)10-7-14/h6-12,18,28H,13H2,1-5H3
InChIKey HWSZNNBVITUTCW-UHFFFAOYSA-N
Mol Weight 490.52 g/mol
Molecular Formula C25H26N6O5
Exact Mass 490.196468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GrPjhWIRMX
Name 5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
Alternate Name(s) 8-(2-Methoxy-4-(3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl)phenoxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N6O5
InChI InChI=1S/C25H26N6O5/c1-29-21-22(30(2)25(33)31(3)23(21)32)26-24(29)36-19-11-8-15(12-20(19)35-5)18-13-17(27-28-18)14-6-9-16(34-4)10-7-14/h6-12,18,28H,13H2,1-5H3
InChIKey HWSZNNBVITUTCW-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.02.040
Molecular Weight 490.520 g/mol
SMILES N1C(CC(=N1)c1ccc(cc1)OC)c1cc(OC)c(cc1)Oc1nc2c([n]1C)C(=O)N(C)C(=O)N2C
SPLASH splash10-0006-0010900000-36449a154e55cc566d7e
Source of Spectrum EMC-93-407-6e
Wiley ID 1761266