6-(3-chloranyl-4-methyl-phenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranyl-4-methyl-phenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methyl-phenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methyl-phenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H18ClN5O2 MolecularWeight: 419.86362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H18ClN5O2/c1-13-9-10-15(11-16(13)23)28-17(14-7-5-4-6-8-14)12-27-18-19(24-21(27)28)25(2)22(30)26(3)20(18)29/h4-12H,1-3H3