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

Systemtic Name: 2,4-dimethyl-7-(4-methylphenyl)-6-(4-oxidanylbutyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-(p-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCCCO)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCCCO)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C20H23N5O3/c1-13-6-8-14(9-7-13)15-12-25-16-17(22(2)20(28)23(3)18(16)27)21-19(25)24(15)10-4-5-11-26/h6-9,12,26H,4-5,10-11H2,1-3H3