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1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperidinyl)-
SpectraBase Compound ID AF6J52rrzeo
InChI InChI=1S/C21H24BrN5O3/c1-13-8-10-26(11-9-13)20-23-18-17(19(29)25(3)21(30)24(18)2)27(20)12-16(28)14-4-6-15(22)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKey RRYSBYJQCSNXIR-UHFFFAOYSA-N
Mol Weight 474.36 g/mol
Molecular Formula C21H24BrN5O3
Exact Mass 473.106253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OfoG7xiofP
Name 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-methylpiperidino)xanthine
Alternate Name(s) 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
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Formula C21H24BrN5O3
InChI InChI=1S/C21H24BrN5O3/c1-13-8-10-26(11-9-13)20-23-18-17(19(29)25(3)21(30)24(18)2)27(20)12-16(28)14-4-6-15(22)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKey RRYSBYJQCSNXIR-UHFFFAOYSA-N
Molecular Weight 474.359 g/mol
SMILES c12c([n](CC(c3ccc(cc3)Br)=O)c(n1)N1CCC(CC1)C)C(=O)N(C(N2C)=O)C
SPLASH splash10-004i-3490300000-c86e4b0e068d9bd22aba
Wiley ID 1459946