8-bromanyl-6-(2-methoxyphenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 8-bromanyl-6-(2-methoxyphenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-bromo-6-(2-methoxyphenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-bromo-6-(2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-bromo-6-(2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-bromo-6-(2-methoxyphenyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C(=C(N(C3=N2)C4=CC=CC=C4OC)C5=CC=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C(=C(N(C3=N2)C4=CC=CC=C4OC)C5=CC=CC=C5)Br

InChI

InChI=1S/C21H16BrN5O3/c1-25-18-16(19(28)24-21(25)29)27-17(22)15(12-8-4-3-5-9-12)26(20(27)23-18)13-10-6-7-11-14(13)30-2/h3-11H,1-2H3,(H,24,28,29)