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

Systemtic Name: 1,7-dibutyl-3-tert-butyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 1,7-dibutyl-3-tert-butyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 1,7-dibutyl-3-tert-butyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 1,7-dibutyl-3-tert-butyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 1,7-dibutyl-3-tert-butyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C20H33N6O2+ MolecularWeight: 389.51502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N6O2/c1-7-9-11-24-17(27)15-16(23(6)19(24)28)21-18-25(15)13-14(20(3,4)5)22-26(18)12-10-8-2/h7-13H2,1-6H3/p+1