4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-(1-methyl-2-oxo-propyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(3-oxobutan-2-yl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(3-oxobutan-2-yl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(2-keto-1-methyl-propyl)-4,7-dimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)C(C)C(=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)C(C)C(=O)C)C

InChI

InChI=1S/C25H23N5O4/c1-15-14-28-21-22(27(4)25(33)30(23(21)32)16(2)17(3)31)26-24(28)29(15)18-10-12-20(13-11-18)34-19-8-6-5-7-9-19/h5-14,16H,1-4H3