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

Systemtic Name: 2,4-dimethyl-6-(3-methylphenyl)-7-(phenoxymethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(m-tolyl)-7-(phenoxymethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(3-methylphenyl)-7-(phenoxymethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(3-methylphenyl)-7-(phenoxymethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(m-tolyl)-7-(phenoxymethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)COC5=CC=CC=C5

InChI

InChI=1S/C23H21N5O3/c1-15-8-7-9-16(12-15)28-17(14-31-18-10-5-4-6-11-18)13-27-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h4-13H,14H2,1-3H3