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1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[4-(1-oxobutyl)phenoxy]-
SpectraBase Compound ID IGd5tr53vOz
InChI InChI=1S/C25H26N4O4/c1-5-8-20(30)17-11-13-19(14-12-17)33-24-26-22-21(23(31)28(4)25(32)27(22)3)29(24)15-18-10-7-6-9-16(18)2/h6-7,9-14H,5,8,15H2,1-4H3
InChIKey OFJWIJMEMTZIDG-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C25H26N4O4
Exact Mass 446.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPyO9w3f250
Name 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[4-(1-oxobutyl)phenoxy]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N4O4
InChI InChI=1S/C25H26N4O4/c1-5-8-20(30)17-11-13-19(14-12-17)33-24-26-22-21(23(31)28(4)25(32)27(22)3)29(24)15-18-10-7-6-9-16(18)2/h6-7,9-14H,5,8,15H2,1-4H3
InChIKey OFJWIJMEMTZIDG-UHFFFAOYSA-N
Molecular Weight 446.507 g/mol
SMILES C1(=O)N(c2nc([n](c2C(=O)N1C)Cc1ccccc1C)Oc1ccc(cc1)C(=O)CCC)C
SPLASH splash10-0a4j-1940700000-0f33031f2750145d2b14
Source of Spectrum IY-1-4599-9
Synonyms 1,3-Dimethyl-7-[(2-methylphenyl)methyl]-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione 8-(4-butanoylphenoxy)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione 8-(4-butanoylphenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
Wiley ID 1653982