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

Systemtic Name: 8-butyl-6-(3-chlorophenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-butyl-6-(3-chlorophenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-butyl-6-(3-chlorophenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-butyl-6-(3-chlorophenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-butyl-6-(3-chlorophenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H24ClN5O2 MolecularWeight: 461.94336

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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(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O2/c1-4-5-14-19-20(16-10-7-6-8-11-16)30(18-13-9-12-17(26)15-18)24-27-22-21(31(19)24)23(32)29(3)25(33)28(22)2/h6-13,15H,4-5,14H2,1-3H3