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

Systemtic Name: 6-(3,4-dimethylphenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,4-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,4-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,4-dimethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3,4-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=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-16-10-11-19(14-17(16)2)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)12-7-13-31/h4-6,8-11,14-15,31H,7,12-13H2,1-3H3