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

Systemtic Name: 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCO)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCO)C4=CC=C(C=C4)Br

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