3-(2-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-cyclopentyl-purine-2,6-dione

Systemtic Name: 3-(2-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-cyclopentyl-purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-cyclopentyl-purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-cyclopentylpurine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-cyclopentylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-(2-chlorophenyl)-1-cyclopentyl-xanthine Formula: C23H20Cl2N4O2 MolecularWeight: 455.3365

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(N=CN3CC4=CC=CC=C4Cl)N(C2=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(N=CN3CC4=CC=CC=C4Cl)N(C2=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H20Cl2N4O2/c24-17-10-4-1-7-15(17)13-27-14-26-21-20(27)22(30)28(16-8-2-3-9-16)23(31)29(21)19-12-6-5-11-18(19)25/h1,4-7,10-12,14,16H,2-3,8-9,13H2