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1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(diethylamino)-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID HMnjIqpuBxh
InChI InChI=1S/C19H22BrN5O3/c1-5-24(6-2)18-21-16-15(17(27)23(4)19(28)22(16)3)25(18)11-14(26)12-7-9-13(20)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKey VXVSZPSLVXDEPL-UHFFFAOYSA-N
Mol Weight 448.32 g/mol
Molecular Formula C19H22BrN5O3
Exact Mass 447.090603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B33iTK9HTeK
Name 7-[2-(4-bromophenyl)-2-keto-ethyl]-8-(diethylamino)-1,3-dimethyl-xanthine
Alternate Name(s) 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxo-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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Formula C19H22BrN5O3
InChI InChI=1S/C19H22BrN5O3/c1-5-24(6-2)18-21-16-15(17(27)23(4)19(28)22(16)3)25(18)11-14(26)12-7-9-13(20)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKey VXVSZPSLVXDEPL-UHFFFAOYSA-N
Molecular Weight 448.321 g/mol
SMILES c12c([n](CC(c3ccc(cc3)Br)=O)c(n1)N(CC)CC)C(=O)N(C(N2C)=O)C
SPLASH splash10-0uea-9880100000-f0bd28373b89b47e3928
Wiley ID 1459942