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7-(4-bromophenyl)-8-(2-hydroxyethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
SpectraBase Compound ID DPnMjEvIRqG
InChI InChI=1S/C17H16BrN5O3/c1-20-14-13(15(25)21(2)17(20)26)23-9-12(10-3-5-11(18)6-4-10)22(7-8-24)16(23)19-14/h3-6,9,24H,7-8H2,1-2H3
InChIKey VTAWQLIMGNAUDC-UHFFFAOYSA-N
Mol Weight 418.25 g/mol
Molecular Formula C17H16BrN5O3
Exact Mass 417.043652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4jM6FXUOmr
Name 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione
Alternate Name(s) 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone 7-(4-Bromophenyl)-8-(2-hydroxyethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
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Formula C17H16BrN5O3
InChI InChI=1S/C17H16BrN5O3/c1-20-14-13(15(25)21(2)17(20)26)23-9-12(10-3-5-11(18)6-4-10)22(7-8-24)16(23)19-14/h3-6,9,24H,7-8H2,1-2H3
InChIKey VTAWQLIMGNAUDC-UHFFFAOYSA-N
Molecular Weight 418.251 g/mol
SMILES OCCN1c2[n](c3c(n2)N(C)C(N(C3=O)C)=O)C=C1c1ccc(cc1)Br
SPLASH splash10-014i-6947600000-f55f51d126d11ffebcc1
Wiley ID 1459945