9-methyl-3-phenyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione

Systemtic Name: 9-methyl-3-phenyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 9-methyl-3-phenyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 9-methyl-3-phenyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 9-methyl-3-phenyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 9-methyl-3-phenyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCC)C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCC)C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C20H24N6O2/c1-4-11-24-18(27)16-17(23(3)20(24)28)21-19-25(16)13-15(22-26(19)12-5-2)14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3/p+1