6-(3,4-dimethylphenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,4-dimethylphenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,4-dimethylphenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,4-dimethylphenyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,4-dimethylphenyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3,4-dimethylphenyl)-4,7,8-trimethyl-2-phenacyl-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=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C5=CC=CC=C5)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C5=CC=CC=C5)C)C)C

InChI

InChI=1S/C26H25N5O3/c1-15-11-12-20(13-16(15)2)30-17(3)18(4)31-22-23(27-25(30)31)28(5)26(34)29(24(22)33)14-21(32)19-9-7-6-8-10-19/h6-13H,14H2,1-5H3