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

Systemtic Name: 6-(2,4-dimethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2,4-dimethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2,4-dimethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2,4-dimethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2,4-dimethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=C(C=C(C=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=C(C=C(C=C4)C)C)N(C1=O)C

InChI

InChI=1S/C22H29N5O2/c1-5-6-7-8-11-27-20(28)18-19(24(4)22(27)29)23-21-25(12-13-26(18)21)17-10-9-15(2)14-16(17)3/h9-10,14H,5-8,11-13H2,1-4H3