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

Systemtic Name: 3-tert-butyl-9-methyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 3-tert-butyl-9-methyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3-tert-butyl-9-methyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3-tert-butyl-9-methyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 3-tert-butyl-9-methyl-1,7-dipropyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCC)C(C)(C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCC)C(C)(C)C)N(C1=O)C

InChI

InChI=1S/C18H28N6O2/c1-7-9-22-15(25)13-14(21(6)17(22)26)19-16-23(13)11-12(18(3,4)5)20-24(16)10-8-2/h7-11H2,1-6H3/p+1