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-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 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-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 6E2zcjqBpk8
InChI InChI=1S/C27H28N6O6/c1-15(34)33-20(14-19(29-33)16-7-10-18(37-5)11-8-16)17-9-12-21(22(13-17)38-6)39-26-28-24-23(30(26)2)25(35)32(4)27(36)31(24)3/h7-13,20H,14H2,1-6H3
InChIKey XDMUPIVKADHFAB-UHFFFAOYSA-N
Mol Weight 532.56 g/mol
Molecular Formula C27H28N6O6
Exact Mass 532.207033 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 3cbOIWjwY4
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-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N6O6
InChI InChI=1S/C27H28N6O6/c1-15(34)33-20(14-19(29-33)16-7-10-18(37-5)11-8-16)17-9-12-21(22(13-17)38-6)39-26-28-24-23(30(26)2)25(35)32(4)27(36)31(24)3/h7-13,20H,14H2,1-6H3
InChIKey XDMUPIVKADHFAB-UHFFFAOYSA-N
Molecular Weight 532.557 g/mol
SMILES C1(c2ccc(Oc3nc4c(C(=O)N(C)C(=O)N4C)[n]3C)c(OC)c2)N(N=C(C1)c1ccc(cc1)OC)C(=O)C
SPLASH splash10-001l-0110590000-22dba4f33a4b2526bff8
Source of Spectrum EMC-93-408-7e
Synonyms 8-(4-(1-acetyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-methoxyphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1803926