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

Systemtic Name: 7-butyl-1-ethyl-3,9-dimethyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 7-butyl-1-ethyl-3,9-dimethyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 7-butyl-1-ethyl-3,9-dimethyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 7-butyl-1-ethyl-3,9-dimethyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 7-butyl-1-ethyl-3,9-dimethyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C15H23N6O2+ MolecularWeight: 319.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CC)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CC)C)N(C1=O)C

InChI

InChI=1S/C15H22N6O2/c1-5-7-8-19-13(22)11-12(18(4)15(19)23)16-14-20(11)9-10(3)17-21(14)6-2/h5-9H2,1-4H3/p+1