1-methyl-8-(4-methylphenyl)-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-8-(4-methylphenyl)-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 1-methyl-5-phenethyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-8-(4-methylphenyl)-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1-methyl-8-(4-methylphenyl)-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 1-methyl-5-phenethyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C3N2C4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C3N2C4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C

InChI

InChI=1S/C22H20N6O2/c1-14-8-10-16(11-9-14)18-24-25-21-27(13-12-15-6-4-3-5-7-15)17-19(29)23-22(30)26(2)20(17)28(18)21/h3-11H,12-13H2,1-2H3,(H,23,29,30)