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

Systemtic Name: 6-(3-chloranyl-4-methyl-phenyl)-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methyl-phenyl)-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methylphenyl)-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methylphenyl)-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methyl-phenyl)-4,7-dimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN5O3/c1-14-9-10-17(11-18(14)25)30-15(2)12-28-20-21(26-23(28)30)27(3)24(33)29(22(20)32)13-19(31)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3