6-(2,3-dimethylphenyl)-4-methyl-2-(3-oxidanylidenebutan-2-yl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2,3-dimethylphenyl)-4-methyl-2-(3-oxidanylidenebutan-2-yl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2,3-dimethylphenyl)-4-methyl-2-(1-methyl-2-oxo-propyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2,3-dimethylphenyl)-4-methyl-2-(3-oxobutan-2-yl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2,3-dimethylphenyl)-4-methyl-2-(3-oxobutan-2-yl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2,3-dimethylphenyl)-2-(2-keto-1-methyl-propyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3/c1-15-10-9-13-20(16(15)2)31-21(19-11-7-6-8-12-19)14-29-22-23(27-25(29)31)28(5)26(34)30(24(22)33)17(3)18(4)32/h6-14,17H,1-5H3