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

Systemtic Name: 6-(4-butylphenyl)-2-(2-ethoxyethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2-(2-ethoxyethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2-(2-ethoxyethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N5O3 MolecularWeight: 423.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOCC)C

InChI

InChI=1S/C23H29N5O3/c1-5-7-8-17-9-11-18(12-10-17)28-16(3)15-27-19-20(24-22(27)28)25(4)23(30)26(21(19)29)13-14-31-6-2/h9-12,15H,5-8,13-14H2,1-4H3