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

Systemtic Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-methylallyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(2-methylallyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c1-6-7-8-17-9-11-18(12-10-17)28-16(4)14-26-19-20(24-22(26)28)25(5)23(30)27(21(19)29)13-15(2)3/h9-12,14H,2,6-8,13H2,1,3-5H3