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

Systemtic Name: 6-(2-ethylphenyl)-4-methyl-2-[(2R)-3-oxidanylidenebutan-2-yl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-4-methyl-2-[(1R)-1-methyl-2-oxo-propyl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4-methyl-2-[(2R)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4-methyl-2-[(2R)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-2-[(1R)-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:

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

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)[C@H](C)C(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3/c1-5-18-11-9-10-14-20(18)31-21(19-12-7-6-8-13-19)15-29-22-23(27-25(29)31)28(4)26(34)30(24(22)33)16(2)17(3)32/h6-16H,5H2,1-4H3/t16-/m1/s1