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

Systemtic Name: 8-(4-methoxyphenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(4-methoxyphenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(4-methoxyphenyl)-1-methyl-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(4-methoxyphenyl)-1-methyl-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(4-methoxyphenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=C(C=C4)OC)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=C(C=C4)OC)CCC5=CC=CC=C5

InChI

InChI=1S/C22H20N6O3/c1-26-20-17(19(29)23-22(26)30)27(13-12-14-6-4-3-5-7-14)21-25-24-18(28(20)21)15-8-10-16(31-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,29,30)