1-methyl-8-phenyl-5-(3-phenylpropyl)purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-8-phenyl-5-(3-phenylpropyl)purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 1-methyl-8-phenyl-5-(3-phenylpropyl)purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-8-phenyl-5-(3-phenylpropyl)purino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1-methyl-8-phenyl-5-(3-phenylpropyl)purino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 1-methyl-8-phenyl-5-(3-phenylpropyl)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:

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C22H20N6O2/c1-26-20-17(19(29)23-22(26)30)27(14-8-11-15-9-4-2-5-10-15)21-25-24-18(28(20)21)16-12-6-3-7-13-16/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,23,29,30)