1-ethanoyl-5,7-dimethyl-3-phenyl-purino[8,7-c][1,2,4]triazole-6,8-dione

Systemtic Name: 1-ethanoyl-5,7-dimethyl-3-phenyl-purino[8,7-c][1,2,4]triazole-6,8-dione Openeye Name: 1-acetyl-5,7-dimethyl-3-phenyl-purino[8,7-c][1,2,4]triazole-6,8-dione CAS Name: 1-acetyl-5,7-dimethyl-3-phenylpurino[8,7-c][1,2,4]triazole-6,8-dione IUPAC Name: 1-acetyl-5,7-dimethyl-3-phenylpurino[8,7-c][1,2,4]triazole-6,8-dione Traditional Name: 1-acetyl-5,7-dimethyl-3-phenyl-purino[8,7-c][1,2,4]triazole-6,8-quinone Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C16H14N6O3/c1-9(23)12-18-22(10-7-5-4-6-8-10)15-17-13-11(21(12)15)14(24)20(3)16(25)19(13)2/h4-8H,1-3H3