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

Systemtic Name: 2-butyl-4-methyl-6-(4-methylphenyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 2-butyl-4-methyl-6-(p-tolyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 2-butyl-4-methyl-6-(4-methylphenyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 2-butyl-4-methyl-6-(4-methylphenyl)-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 2-butyl-4-methyl-6-(p-tolyl)-7,8-dihydro-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CCN3C4=CC=C(C=C4)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CCN3C4=CC=C(C=C4)C)N(C1=O)C

InChI

InChI=1S/C19H23N5O2/c1-4-5-10-24-17(25)15-16(21(3)19(24)26)20-18-22(11-12-23(15)18)14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3/p+1