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

Systemtic Name: 1-phenyl-3,5-dihydropurino[8,7-c][1,2,4]triazole-6,8-dione Openeye Name: 1-phenyl-3,5-dihydropurino[8,7-c][1,2,4]triazole-6,8-dione CAS Name: 1-phenyl-3,5-dihydropurino[8,7-c][1,2,4]triazole-6,8-dione IUPAC Name: 1-phenyl-3,5-dihydropurino[8,7-c][1,2,4]triazole-6,8-dione Traditional Name: 1-phenyl-3,5-dihydropurino[8,7-c][1,2,4]triazole-6,8-quinone Formula: C12H8N6O2 MolecularWeight: 268.23092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC3=NC4=C(N23)C(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC3=NC4=C(N23)C(=O)NC(=O)N4

InChI

InChI=1S/C12H8N6O2/c19-10-7-8(14-12(20)15-10)13-11-17-16-9(18(7)11)6-4-2-1-3-5-6/h1-5H,(H3,13,14,15,17,19,20)