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

Systemtic Name: 3,9-dimethyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 3,9-dimethyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3,9-dimethyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3,9-dimethyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 3,9-dimethyl-7-propyl-4,10-dihydro-1H-purino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C12H17N6O2+ MolecularWeight: 277.30238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O2/c1-4-5-17-10(19)8-9(16(3)12(17)20)13-11-15-14-7(2)6-18(8)11/h4-6H2,1-3H3,(H,13,15,19)/p+1