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1H-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-oxo-2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-8-(1-piperidinyl)-
SpectraBase Compound ID KwLXS1lt5ud
InChI InChI=1S/C24H33N5O3/c1-26-20-19(21(31)27(2)23(26)32)29(22(25-20)28-6-4-3-5-7-28)14-18(30)24-11-15-8-16(12-24)10-17(9-15)13-24/h15-17H,3-14H2,1-2H3/t15-,16+,17-,24-
InChIKey IUABQVDRXDPASY-ONHXBKDTSA-N
Mol Weight 439.6 g/mol
Molecular Formula C24H33N5O3
Exact Mass 439.25834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6o09o4t31SR
Name 7-[2-(1-adamantyl)-2-keto-ethyl]-1,3-dimethyl-8-piperidino-xanthine
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Formula C24H33N5O3
InChI InChI=1S/C24H33N5O3/c1-26-20-19(21(31)27(2)23(26)32)29(22(25-20)28-6-4-3-5-7-28)14-18(30)24-11-15-8-16(12-24)10-17(9-15)13-24/h15-17H,3-14H2,1-2H3/t15-,16+,17-,24-
InChIKey IUABQVDRXDPASY-ONHXBKDTSA-N
Molecular Weight 439.560 g/mol
SMILES c12c([n](CC(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])=O)c(n2)N2CCCCC2)C(=O)N(C(N1C)=O)C
SPLASH splash10-000i-9870500000-b4e055cb2d0a30c555fc
Synonyms 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione 7-[2-(1-adamantyl)-2-oxo-ethyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Wiley ID 1454942