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

Systemtic Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethoxyphenyl)-2-isobutyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethoxyphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isobutyl-4,7-dimethyl-6-o-phenetyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C)C

InChI

InChI=1S/C21H25N5O3/c1-6-29-16-10-8-7-9-15(16)26-14(4)12-24-17-18(22-20(24)26)23(5)21(28)25(19(17)27)11-13(2)3/h7-10,12-13H,6,11H2,1-5H3