8-ethyl-6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 8-ethyl-6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-ethyl-6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-ethyl-6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-ethyl-6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-ethyl-6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)CC)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)CC)C5=CC=CC=C5

InChI

InChI=1S/C29H33N5O3/c1-5-7-8-12-18-37-22-17-13-16-21(19-22)33-24(20-14-10-9-11-15-20)23(6-2)34-25-26(30-28(33)34)31(3)29(36)32(4)27(25)35/h9-11,13-17,19H,5-8,12,18H2,1-4H3