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4-Methyl-6-(4-oxidanylbutyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione
SpectraBase Compound ID JRHwyPIuJj
InChI InChI=1S/C18H19N5O3/c1-21-15-14(16(25)20-18(21)26)23-11-13(12-7-3-2-4-8-12)22(17(23)19-15)9-5-6-10-24/h2-4,7-8,11,24H,5-6,9-10H2,1H3,(H,20,25,26)
InChIKey JOEYVYNGBCYTGH-UHFFFAOYSA-N
Mol Weight 353.38 g/mol
Molecular Formula C18H19N5O3
Exact Mass 353.148789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WfJYRaeS8
Name 4-Methyl-6-(4-oxidanylbutyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione
Alternate Name(s) 6-(4-hydroxybutyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione 6-(4-hydroxybutyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone 8-(4-Hydroxybutyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
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Formula C18H19N5O3
InChI InChI=1S/C18H19N5O3/c1-21-15-14(16(25)20-18(21)26)23-11-13(12-7-3-2-4-8-12)22(17(23)19-15)9-5-6-10-24/h2-4,7-8,11,24H,5-6,9-10H2,1H3,(H,20,25,26)
InChIKey JOEYVYNGBCYTGH-UHFFFAOYSA-N
Molecular Weight 353.382 g/mol
SMILES N1C(N(c2nc3N(CCCCO)C(=C[n]3c2C1=O)c1ccccc1)C)=O
SPLASH splash10-0006-9431000000-fb3b1b13a44e229c7652
Wiley ID 1511973