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

Systemtic Name: 1-methyl-8-phenyl-5-(phenylmethyl)purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-benzyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-8-phenyl-5-(phenylmethyl)purino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-benzyl-1-methyl-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-benzyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C20H16N6O2 MolecularWeight: 372.38004

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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)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C20H16N6O2/c1-24-18-15(17(27)21-20(24)28)25(12-13-8-4-2-5-9-13)19-23-22-16(26(18)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,21,27,28)