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

Systemtic Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H20BrN5O3 MolecularWeight: 446.2978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)Br)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)Br)C)N(C1=O)C

InChI

InChI=1S/C19H20BrN5O3/c1-4-28-10-9-23-17(26)15-16(22(3)19(23)27)21-18-24(15)11-12(2)25(18)14-7-5-13(20)6-8-14/h5-8,11H,4,9-10H2,1-3H3