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1,3-Dimethyl-7-phenacyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione
SpectraBase Compound ID LEGHxY8HoQn
InChI InChI=1S/C26H28N6O3/c1-28-23-22(24(34)29(2)26(28)35)32(18-21(33)20-11-7-4-8-12-20)25(27-23)31-15-13-30(14-16-31)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3
InChIKey RXXBTALHSACIEO-UHFFFAOYSA-N
Mol Weight 472.55 g/mol
Molecular Formula C26H28N6O3
Exact Mass 472.222289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xt9NlECDwB
Name 1,3-Dimethyl-7-phenacyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-phenacyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-phenacyl-purine-2,6-dione 8-(4-benzylpiperazino)-1,3-dimethyl-7-phenacyl-xanthine
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Formula C26H28N6O3
InChI InChI=1S/C26H28N6O3/c1-28-23-22(24(34)29(2)26(28)35)32(18-21(33)20-11-7-4-8-12-20)25(27-23)31-15-13-30(14-16-31)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3
InChIKey RXXBTALHSACIEO-UHFFFAOYSA-N
Molecular Weight 472.549 g/mol
SMILES c12c([n](CC(=O)c3ccccc3)c(n1)N1CCN(CC1)Cc1ccccc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-052g-9811100000-24cdff36a351927ef89e
Wiley ID 1454949