3-tert-butyl-9-methyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione

Systemtic Name: 3-tert-butyl-9-methyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 3-tert-butyl-9-methyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3-tert-butyl-9-methyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3-tert-butyl-9-methyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 3-tert-butyl-9-methyl-7-propyl-4,10-dihydro-1H-purino[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:

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3)C(C)(C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3)C(C)(C)C)N(C1=O)C

InChI

InChI=1S/C15H22N6O2/c1-6-7-20-12(22)10-11(19(5)14(20)23)16-13-18-17-9(8-21(10)13)15(2,3)4/h6-8H2,1-5H3,(H,16,18,22)/p+1