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

Systemtic Name: 9-methyl-1,7-dipentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione Openeye Name: 9-methyl-1,7-dipentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione CAS Name: 9-methyl-1,7-dipentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione IUPAC Name: 9-methyl-1,7-dipentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-dione Traditional Name: 1,7-diamyl-9-methyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-5,9-diium-6,8-quinone Formula: C24H32N6O2+2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=[N+]3CC(=NN(C3=NC2=[N+](C1=O)C)CCCCC)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=[N+]3CC(=NN(C3=NC2=[N+](C1=O)C)CCCCC)C4=CC=CC=C4

InChI

InChI=1S/C24H32N6O2/c1-4-6-11-15-28-22(31)20-21(27(3)24(28)32)25-23-29(20)17-19(18-13-9-8-10-14-18)26-30(23)16-12-7-5-2/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3/q+2