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

Systemtic Name: 6-(3-chloranyl-4-methyl-phenyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methyl-phenyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methylphenyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methylphenyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methyl-phenyl)-4,7-dimethyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H22ClN5O2 MolecularWeight: 447.91678

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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)CCC5=CC=CC=C5)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5)C)Cl

InChI

InChI=1S/C24H22ClN5O2/c1-15-9-10-18(13-19(15)25)30-16(2)14-29-20-21(26-23(29)30)27(3)24(32)28(22(20)31)12-11-17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3