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1,3-Dimethyl-7-phenacyl-8-(1-piperidinyl)purine-2,6-dione
SpectraBase Compound ID F92VVFAoB33
InChI InChI=1S/C20H23N5O3/c1-22-17-16(18(27)23(2)20(22)28)25(13-15(26)14-9-5-3-6-10-14)19(21-17)24-11-7-4-8-12-24/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey JKUIACWEVNFLDE-UHFFFAOYSA-N
Mol Weight 381.44 g/mol
Molecular Formula C20H23N5O3
Exact Mass 381.18009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eDfeJpbRtD
Name 1,3-Dimethyl-7-phenacyl-8-(1-piperidinyl)purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-phenacyl-8-(1-piperidyl)purine-2,6-dione 1,3-Dimethyl-7-phenacyl-8-piperidin-1-yl-purine-2,6-dione 1,3-Dimethyl-7-phenacyl-8-piperidino-xanthine Purine-2,6-dione, 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-(piperidin-1-yl)-3,7-dihydro-
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Formula C20H23N5O3
InChI InChI=1S/C20H23N5O3/c1-22-17-16(18(27)23(2)20(22)28)25(13-15(26)14-9-5-3-6-10-14)19(21-17)24-11-7-4-8-12-24/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey JKUIACWEVNFLDE-UHFFFAOYSA-N
Molecular Weight 381.436 g/mol
SMILES CN1C(N(C(c2c1nc([n]2CC(=O)c1ccccc1)N1CCCCC1)=O)C)=O
SPLASH splash10-001l-9213000000-8f3af2622f7de7f5bf39
Wiley ID 1445926