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

Systemtic Name: 8-butyl-6-(4-ethylphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-butyl-6-(4-ethylphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-butyl-6-(4-ethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-butyl-6-(4-ethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-butyl-6-(4-ethylphenyl)-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=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)CC)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)CC)C5=CC=CC=C5

InChI

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