2-hexyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-hexyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-hexyl-4-methyl-6-(o-tolyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-hexyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-hexyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-hexyl-4-methyl-6-(o-tolyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-4-5-6-9-12-26-19(27)17-18(23(3)21(26)28)22-20-24(13-14-25(17)20)16-11-8-7-10-15(16)2/h7-8,10-11H,4-6,9,12-14H2,1-3H3