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7-[[1-(benzyl)-4-piperidyl]methyl]-1,3-dimethyl-xanthine
SpectraBase Compound ID KDRTbRQDEIY
InChI InChI=1S/C20H25N5O2/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)13-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKey LSRRREAJVIXSQL-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C20H25N5O2
Exact Mass 367.200825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Et9sk4oGcix
Name 1,3-Dimethyl-7-[[1-(phenylmethyl)-4-piperidinyl]methyl]purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methyl]purine-2,6-dione 7-[(1-benzyl-4-piperidyl)methyl]-1,3-dimethyl-purine-2,6-dione 7-[(1-benzyl-4-piperidyl)methyl]-1,3-dimethyl-xanthine 7-[(1-benzylpiperidin-4-yl)methyl]-1,3-dimethylpurine-2,6-dione
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Formula C20H25N5O2
InChI InChI=1S/C20H25N5O2/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)13-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKey LSRRREAJVIXSQL-UHFFFAOYSA-N
Molecular Weight 367.453 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CC2CCN(CC2)Cc2ccccc2)cn1
SPLASH splash10-002f-9062000000-e2652be91830a5822351
Source of Spectrum C5-2002-913-5
Wiley ID 1614629