For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Acetyl-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 9qPAKV3l60V
InChI InChI=1S/C26H26N6O5/c1-15(33)32-19(14-18(28-32)16-9-7-6-8-10-16)17-11-12-20(21(13-17)36-5)37-25-27-23-22(29(25)2)24(34)31(4)26(35)30(23)3/h6-13,19H,14H2,1-5H3
InChIKey MKRMUEHDZHRIKB-UHFFFAOYSA-N
Mol Weight 502.53 g/mol
Molecular Formula C26H26N6O5
Exact Mass 502.196468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 98i90poz3FL
Name 1-Acetyl-5-((4-(2,6-dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N6O5
InChI InChI=1S/C26H26N6O5/c1-15(33)32-19(14-18(28-32)16-9-7-6-8-10-16)17-11-12-20(21(13-17)36-5)37-25-27-23-22(29(25)2)24(34)31(4)26(35)30(23)3/h6-13,19H,14H2,1-5H3
InChIKey MKRMUEHDZHRIKB-UHFFFAOYSA-N
Molecular Weight 502.531 g/mol
SMILES C1(c2ccc(Oc3nc4c(C(=O)N(C)C(=O)N4C)[n]3C)c(OC)c2)N(N=C(C1)c1ccccc1)C(=O)C
SPLASH splash10-0udi-0010290000-55559542188d444ee9b8
Source of Spectrum EMC-93-408-7a
Synonyms 8-(4-(1-acetyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-methoxyphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1803922