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

Systemtic Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(1-methyl-2-oxo-propyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2-(2-keto-1-methyl-propyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H27N5O3 MolecularWeight: 421.49218

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)C(C)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-6-7-8-17-9-11-18(12-10-17)27-14(2)13-26-19-20(24-22(26)27)25(5)23(31)28(21(19)30)15(3)16(4)29/h9-13,15H,6-8H2,1-5H3