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

Systemtic Name: 6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-hexoxyphenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c1-4-5-6-10-16-35-21-15-11-14-20(17-21)32-22(19-12-8-7-9-13-19)18-31-23-24(28-26(31)32)29(2)27(34)30(3)25(23)33/h7-9,11-15,17-18H,4-6,10,16H2,1-3H3