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7-(4-Bromophenyl)-1,3-dimethyl-8-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
SpectraBase Compound ID 3sOKKkfgLCS
InChI InChI=1S/C18H18BrN5O2/c1-4-9-23-13(11-5-7-12(19)8-6-11)10-24-14-15(20-17(23)24)21(2)18(26)22(3)16(14)25/h5-8,10H,4,9H2,1-3H3
InChIKey HNBYWEZHUUXWCC-UHFFFAOYSA-N
Mol Weight 416.28 g/mol
Molecular Formula C18H18BrN5O2
Exact Mass 415.064388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjUEIZ0mgQ5
Name 7-(4-Bromophenyl)-1,3-dimethyl-8-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Alternate Name(s) 7-(4-bromophenyl)-2,4-dimethyl-6-propyl-purino[7,8-a]imidazole-1,3-dione 7-(4-bromophenyl)-2,4-dimethyl-6-propyl-purin[7,8-a]imidazole-1,3-quinone
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Formula C18H18BrN5O2
InChI InChI=1S/C18H18BrN5O2/c1-4-9-23-13(11-5-7-12(19)8-6-11)10-24-14-15(20-17(23)24)21(2)18(26)22(3)16(14)25/h5-8,10H,4,9H2,1-3H3
InChIKey HNBYWEZHUUXWCC-UHFFFAOYSA-N
Molecular Weight 416.279 g/mol
SMILES c12c(nc3[n]2C=C(c2ccc(cc2)Br)N3CCC)N(C)C(N(C1=O)C)=O
SPLASH splash10-014l-6974400000-27bde27aa0803defa20f
Wiley ID 1463649