6-(3,4-dimethylphenyl)-4-methyl-2-pentyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 6-(3,4-dimethylphenyl)-4-methyl-2-pentyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 6-(3,4-dimethylphenyl)-4-methyl-2-pentyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 6-(3,4-dimethylphenyl)-4-methyl-2-pentyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 6-(3,4-dimethylphenyl)-4-methyl-2-pentyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 2-amyl-6-(3,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC3=[N+]2CCN3C4=CC(=C(C=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC3=[N+]2CCN3C4=CC(=C(C=C4)C)C)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-5-6-7-10-26-19(27)17-18(23(4)21(26)28)22-20-24(11-12-25(17)20)16-9-8-14(2)15(3)13-16/h8-9,13H,5-7,10-12H2,1-4H3/p+1