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

Systemtic Name: 6-(4-butylphenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)CC)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)CC)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-5-7-11-18-14-16-20(17-15-18)31-22(19-12-9-8-10-13-19)21(6-2)32-23-24(28-26(31)32)29(3)27(34)30(4)25(23)33/h8-10,12-17H,5-7,11H2,1-4H3