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

Systemtic Name: 6-(4-butylphenyl)-4,7-dimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(4-butylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(4-butylphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O2 MolecularWeight: 391.4662

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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-5-7-8-16-9-11-17(12-10-16)27-15(3)14-26-18-19(23-21(26)27)24(4)22(29)25(13-6-2)20(18)28/h6,9-12,14H,2,5,7-8,13H2,1,3-4H3