7-(4-bromophenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(3-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(3-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(3-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H17BrN6O2 MolecularWeight: 465.30268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H17BrN6O2/c1-25-18-17(19(29)26(2)21(25)30)28-12-16(14-5-7-15(22)8-6-14)27(20(28)24-18)11-13-4-3-9-23-10-13/h3-10,12H,11H2,1-2H3