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1,3-Dimethyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione
SpectraBase Compound ID FwlgVQMcJIy
InChI InChI=1S/C20H24N6O3/c1-22-18-17(19(28)23(2)20(22)29)26(14-21-18)13-16(27)25-10-8-24(9-11-25)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKey LJIDGBSOYPFLQY-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C20H24N6O3
Exact Mass 396.190989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOP4DazgoiM
Name 1,3-Dimethyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]purine-2,6-dione 7-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-(4-benzylpiperazino)-2-keto-ethyl]-1,3-dimethyl-xanthine
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Formula C20H24N6O3
InChI InChI=1S/C20H24N6O3/c1-22-18-17(19(28)23(2)20(22)29)26(14-21-18)13-16(27)25-10-8-24(9-11-25)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKey LJIDGBSOYPFLQY-UHFFFAOYSA-N
Molecular Weight 396.451 g/mol
SMILES C1(N(C(c2c(N1C)nc[n]2CC(N1CCN(CC1)Cc1ccccc1)=O)=O)C)=O
SPLASH splash10-0006-9810000000-34a24ff5de2fe9290ed2
Wiley ID 1442453