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

Systemtic Name: 6-(3-chloranyl-2-methyl-phenyl)-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-2-methyl-phenyl)-4,7-dimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-2-methylphenyl)-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-2-methylphenyl)-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-2-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=CN2C3=C(N=C2N1C4=C(C(=CC=C4)Cl)C)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=C(C(=CC=C4)Cl)C)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C

InChI

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