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

Systemtic Name: 7-tert-butyl-6-(3,4-dimethylphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-tert-butyl-6-(3,4-dimethylphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-6-(3,4-dimethylphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-tert-butyl-6-(3,4-dimethylphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-tert-butyl-6-(3,4-dimethylphenyl)-2,4-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)C)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-12-8-9-14(10-13(12)2)26-15(21(3,4)5)11-25-16-17(22-19(25)26)23(6)20(28)24(7)18(16)27/h8-11H,1-7H3