6-(4-ethanoylphenyl)-2-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-ethanoylphenyl)-2-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-acetylphenyl)-2-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-acetylphenyl)-2-hexyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-acetylphenyl)-2-hexyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-acetylphenyl)-2-hexyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H29N5O3 MolecularWeight: 435.51876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)C(=O)C)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)C(=O)C)C)C)N(C1=O)C

InChI

InChI=1S/C24H29N5O3/c1-6-7-8-9-14-27-22(31)20-21(26(5)24(27)32)25-23-28(15(2)16(3)29(20)23)19-12-10-18(11-13-19)17(4)30/h10-13H,6-9,14H2,1-5H3