1,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione

Systemtic Name: 1,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione Openeye Name: 1,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione CAS Name: 1,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione IUPAC Name: 1,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione Traditional Name: 1,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-quinone Formula: C15H14N6O2+2 MolecularWeight: 310.31066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=[N+](C(=O)NC(=O)C3=[N+]2CC(=N1)C4=CC=CC=C4)C

Isomeric SMILES

CN1C2=NC3=[N+](C(=O)NC(=O)C3=[N+]2CC(=N1)C4=CC=CC=C4)C

InChI

InChI=1S/C15H13N6O2/c1-19-12-11(13(22)17-15(19)23)21-8-10(9-6-4-3-5-7-9)18-20(2)14(21)16-12/h3-7H,8H2,1-2H3/q+1/p+1