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3-Methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione
SpectraBase Compound ID IkmW4uvtnE0
InChI InChI=1S/C21H27N5O4/c1-14-8-4-5-9-16(14)30-13-15(27)12-26-17-18(24(2)21(29)23-19(17)28)22-20(26)25-10-6-3-7-11-25/h4-5,8-9,15,27H,3,6-7,10-13H2,1-2H3,(H,23,28,29)
InChIKey ODMBQAVWRIMLGH-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C21H27N5O4
Exact Mass 413.206304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wur2eiperJ
Name 3-Methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione
Alternate Name(s) 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperidino-xanthine
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Formula C21H27N5O4
InChI InChI=1S/C21H27N5O4/c1-14-8-4-5-9-16(14)30-13-15(27)12-26-17-18(24(2)21(29)23-19(17)28)22-20(26)25-10-6-3-7-11-25/h4-5,8-9,15,27H,3,6-7,10-13H2,1-2H3,(H,23,28,29)
InChIKey ODMBQAVWRIMLGH-UHFFFAOYSA-N
Molecular Weight 413.478 g/mol
SMILES OC(C[n]1c2c(N(C(NC2=O)=O)C)nc1N1CCCCC1)COc1c(C)cccc1
SPLASH splash10-052b-5950000000-b90953c7b18deb0cbf26
Wiley ID 1462366