3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-purine-2,6-dione CAS Name: 3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-[2-(4-chlorophenyl)ethyl]-8-cyclopentylpurine-2,6-dione Traditional Name: 7-benzyl-3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-xanthine Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H25ClN4O2/c26-20-12-10-17(11-13-20)14-15-29-23-21(24(31)28-25(29)32)30(16-18-6-2-1-3-7-18)22(27-23)19-8-4-5-9-19/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2,(H,28,31,32)