6-(3,5-dimethylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(N3C2=NC4=C3C(=O)NC(=O)N4C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(N3C2=NC4=C3C(=O)NC(=O)N4C)C)C)C

InChI

InChI=1S/C18H19N5O2/c1-9-6-10(2)8-13(7-9)22-11(3)12(4)23-14-15(19-17(22)23)21(5)18(25)20-16(14)24/h6-8H,1-5H3,(H,20,24,25)