8-hexyl-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-hexyl-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-hexyl-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-hexyl-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-hexyl-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 8-hexyl-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C13H19N4O2+ MolecularWeight: 263.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

Isomeric SMILES

CCCCCCC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

InChI

InChI=1S/C13H19N4O2/c1-4-5-6-7-8-9-14-10-11(15-9)16(2)13(19)17(3)12(10)18/h4-8H2,1-3H3/q+1