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

Systemtic Name: 1,7-dihexyl-9-methyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione Openeye Name: 1,7-dihexyl-9-methyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione CAS Name: 1,7-dihexyl-9-methyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione IUPAC Name: 1,7-dihexyl-9-methyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione Traditional Name: 1,7-dihexyl-9-methyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-quinone Formula: C26H36N6O2+2 MolecularWeight: 464.60304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=[N+]3CC(=NN(C3=NC2=[N+](C1=O)C)CCCCCC)C4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=[N+]3CC(=NN(C3=NC2=[N+](C1=O)C)CCCCCC)C4=CC=CC=C4

InChI

InChI=1S/C26H36N6O2/c1-4-6-8-13-17-30-24(33)22-23(29(3)26(30)34)27-25-31(22)19-21(20-15-11-10-12-16-20)28-32(25)18-14-9-7-5-2/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3/q+2