6-(3,4-dimethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,4-dimethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,4-dimethylphenyl)-2-isobutyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,4-dimethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,4-dimethylphenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3,4-dimethylphenyl)-2-isobutyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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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)CC(C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-12(2)10-25-19(27)17-18(23(6)21(25)28)22-20-24(17)11-15(5)26(20)16-8-7-13(3)14(4)9-16/h7-9,11-12H,10H2,1-6H3