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

Systemtic Name: 6-(4-chlorophenyl)-2,4-dimethyl-8-pentyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-chlorophenyl)-2,4-dimethyl-8-pentyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-chlorophenyl)-2,4-dimethyl-8-pentyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-chlorophenyl)-2,4-dimethyl-8-pentyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-amyl-6-(4-chlorophenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H26ClN5O2 MolecularWeight: 475.96994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H26ClN5O2/c1-4-5-7-12-20-21(17-10-8-6-9-11-17)31(19-15-13-18(27)14-16-19)25-28-23-22(32(20)25)24(33)30(3)26(34)29(23)2/h6,8-11,13-16H,4-5,7,12H2,1-3H3