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

Systemtic Name: 3-tert-butyl-1,7-diethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 3-tert-butyl-1,7-diethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3-tert-butyl-1,7-diethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3-tert-butyl-1,7-diethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 3-tert-butyl-1,7-diethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C16H25N6O2+ MolecularWeight: 333.4087

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CC)C(C)(C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CC)C(C)(C)C)N(C1=O)C

InChI

InChI=1S/C16H24N6O2/c1-7-20-13(23)11-12(19(6)15(20)24)17-14-21(11)9-10(16(3,4)5)18-22(14)8-2/h7-9H2,1-6H3/p+1