8-(4-bromophenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 8-(4-bromophenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(4-bromophenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(4-bromophenyl)-1-methyl-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(4-bromophenyl)-1-methyl-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(4-bromophenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C21H17BrN6O2 MolecularWeight: 465.30268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=C(C=C4)Br)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=C(C=C4)Br)CCC5=CC=CC=C5

InChI

InChI=1S/C21H17BrN6O2/c1-26-19-16(18(29)23-21(26)30)27(12-11-13-5-3-2-4-6-13)20-25-24-17(28(19)20)14-7-9-15(22)10-8-14/h2-10H,11-12H2,1H3,(H,23,29,30)