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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-methylphenyl)-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-methylphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID JPFPK2tScaq
InChI InChI=1S/C27H28N6O5/c1-15-7-9-17(10-8-15)19-14-20(33(29-19)16(2)34)18-11-12-21(22(13-18)37-6)38-26-28-24-23(30(26)3)25(35)32(5)27(36)31(24)4/h7-13,20H,14H2,1-6H3
InChIKey UJHUDJJQBBXQCI-UHFFFAOYSA-N
Mol Weight 516.56 g/mol
Molecular Formula C27H28N6O5
Exact Mass 516.212118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOGVMWNcZEb
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-methylphenyl)-4,5-dihydro-1H-pyrazole
Alternate Name(s) 8-(4-(1-acetyl-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-methoxyphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N6O5
InChI InChI=1S/C27H28N6O5/c1-15-7-9-17(10-8-15)19-14-20(33(29-19)16(2)34)18-11-12-21(22(13-18)37-6)38-26-28-24-23(30(26)3)25(35)32(5)27(36)31(24)4/h7-13,20H,14H2,1-6H3
InChIKey UJHUDJJQBBXQCI-UHFFFAOYSA-N
Molecular Weight 516.558 g/mol
SMILES C1(c2ccc(Oc3nc4c(C(=O)N(C)C(=O)N4C)[n]3C)c(OC)c2)N(N=C(C1)c1ccc(cc1)C)C(=O)C
SPLASH splash10-014i-0110390000-80346e7eeaf49875c2c3
Source of Spectrum EMC-93-408-7d
Wiley ID 1803925