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7-(4-Chlorophenyl)-2,4-dimethyl-6-(2-oxidanyl-2-phenyl-ethyl)purino[7,8-a]imidazole-1,3-dione
SpectraBase Compound ID EgFxoHX2dBa
InChI InChI=1S/C23H20ClN5O3/c1-26-20-19(21(31)27(2)23(26)32)29-12-17(14-8-10-16(24)11-9-14)28(22(29)25-20)13-18(30)15-6-4-3-5-7-15/h3-12,18,30H,13H2,1-2H3
InChIKey SOXULTFYCWMQCJ-UHFFFAOYSA-N
Mol Weight 449.9 g/mol
Molecular Formula C23H20ClN5O3
Exact Mass 449.125467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5u2vtQTuVUf
Name 7-(4-Chlorophenyl)-2,4-dimethyl-6-(2-oxidanyl-2-phenyl-ethyl)purino[7,8-a]imidazole-1,3-dione
Alternate Name(s) 7-(4-Chlorophenyl)-6-(2-hydroxy-2-phenyl-ethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione 7-(4-Chlorophenyl)-6-(2-hydroxy-2-phenyl-ethyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone 7-(4-Chlorophenyl)-8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
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Formula C23H20ClN5O3
InChI InChI=1S/C23H20ClN5O3/c1-26-20-19(21(31)27(2)23(26)32)29-12-17(14-8-10-16(24)11-9-14)28(22(29)25-20)13-18(30)15-6-4-3-5-7-15/h3-12,18,30H,13H2,1-2H3
InChIKey SOXULTFYCWMQCJ-UHFFFAOYSA-N
Molecular Weight 449.898 g/mol
SMILES OC(CN1c2[n](c3C(N(C)C(N(c3n2)C)=O)=O)C=C1c1ccc(cc1)Cl)c1ccccc1
SPLASH splash10-002f-9625200000-4c73fd78963c6cd2b48d
Wiley ID 1466268