6-(3,5-dimethylphenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,5-dimethylphenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,5-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,5-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,5-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3,5-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-16-12-17(2)14-19(13-16)30-20(18-8-5-4-6-9-18)15-29-21-22(26-24(29)30)27(3)25(33)28(23(21)32)10-7-11-31/h4-6,8-9,12-15,31H,7,10-11H2,1-3H3