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7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-morpholino-xanthine
SpectraBase Compound ID 9epA5lIsPyV
InChI InChI=1S/C19H20BrN5O4/c1-22-16-15(17(27)23(2)19(22)28)25(18(21-16)24-7-9-29-10-8-24)11-14(26)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3
InChIKey NASZSMCAJKPOGX-UHFFFAOYSA-N
Mol Weight 462.3 g/mol
Molecular Formula C19H20BrN5O4
Exact Mass 461.069867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hv0Uy8PZmG
Name 7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-8-morpholino-xanthine
Alternate Name(s) 7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
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Formula C19H20BrN5O4
InChI InChI=1S/C19H20BrN5O4/c1-22-16-15(17(27)23(2)19(22)28)25(18(21-16)24-7-9-29-10-8-24)11-14(26)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3
InChIKey NASZSMCAJKPOGX-UHFFFAOYSA-N
Molecular Weight 462.304 g/mol
SMILES c12c([n](CC(c3ccc(cc3)Br)=O)c(n1)N1CCOCC1)C(=O)N(C(N2C)=O)C
SPLASH splash10-03di-9870200000-0fe8f8d94bfc03d9c180
Wiley ID 1454944