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

Systemtic Name: 1,7-dibutyl-9-methyl-3-phenyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 1,7-dibutyl-9-methyl-3-phenyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 1,7-dibutyl-9-methyl-3-phenyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 1,7-dibutyl-9-methyl-3-phenyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 1,7-dibutyl-9-methyl-3-phenyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCCC)C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCCC)C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C22H28N6O2/c1-4-6-13-26-20(29)18-19(25(3)22(26)30)23-21-27(18)15-17(16-11-9-8-10-12-16)24-28(21)14-7-5-2/h8-12H,4-7,13-15H2,1-3H3/p+1