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8-(4-Cyclohexylphenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FOMAHBL3a7W
InChI InChI=1S/C27H30N4O3/c1-18-9-11-19(12-10-18)17-31-23-24(29(2)27(33)30(3)25(23)32)28-26(31)34-22-15-13-21(14-16-22)20-7-5-4-6-8-20/h9-16,20H,4-8,17H2,1-3H3
InChIKey KPWSWSKRYNLSNG-UHFFFAOYSA-N
Mol Weight 458.56 g/mol
Molecular Formula C27H30N4O3
Exact Mass 458.231791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGXoYKhbyf
Name 8-(4-Cyclohexylphenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
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Formula C27H30N4O3
InChI InChI=1S/C27H30N4O3/c1-18-9-11-19(12-10-18)17-31-23-24(29(2)27(33)30(3)25(23)32)28-26(31)34-22-15-13-21(14-16-22)20-7-5-4-6-8-20/h9-16,20H,4-8,17H2,1-3H3
InChIKey KPWSWSKRYNLSNG-UHFFFAOYSA-N
Molecular Weight 458.562 g/mol
SMILES C1(=O)N(c2nc([n](c2C(=O)N1C)Cc1ccc(cc1)C)Oc1ccc(cc1)C1CCCCC1)C
SPLASH splash10-0a4i-3940200000-b74c83abd4c1916187b7
Synonyms 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Wiley ID 1445679