6-(2-methoxy-5-methyl-phenyl)-4-methyl-7-phenyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-methoxy-5-methyl-phenyl)-4-methyl-7-phenyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(2-methoxy-5-methyl-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-5-methylphenyl)-4-methyl-7-phenyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4-methyl-7-phenyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(2-methoxy-5-methyl-phenyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O3/c1-5-13-28-23(31)21-22(27(3)25(28)32)26-24-29(21)15-19(17-9-7-6-8-10-17)30(24)18-14-16(2)11-12-20(18)33-4/h5-12,14-15H,1,13H2,2-4H3