6-(2-ethylphenyl)-4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-ethylphenyl)-4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(2-ethylphenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(2-ethylphenyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c1-4-17-10-8-9-13-19(17)30-20(18-11-6-5-7-12-18)15-28-21-22(26-24(28)30)27(3)25(33)29(23(21)32)14-16(2)31/h5-13,15H,4,14H2,1-3H3