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

Systemtic Name: 6-(3-chloranyl-4-methyl-phenyl)-4-methyl-2-(3-oxidanylidenebutan-2-yl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methyl-phenyl)-4-methyl-2-(1-methyl-2-oxo-propyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methylphenyl)-4-methyl-2-(3-oxobutan-2-yl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methylphenyl)-4-methyl-2-(3-oxobutan-2-yl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methyl-phenyl)-2-(2-keto-1-methyl-propyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H22ClN5O3 MolecularWeight: 475.92688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN5O3/c1-14-10-11-18(12-19(14)26)31-20(17-8-6-5-7-9-17)13-29-21-22(27-24(29)31)28(4)25(34)30(23(21)33)15(2)16(3)32/h5-13,15H,1-4H3