3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-1-propyl-purine-2,6-dione CAS Name: 3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-3-[2-(4-chlorophenyl)ethyl]-8-cyclopentyl-1-propyl-xanthine Formula: C28H31ClN4O2 MolecularWeight: 491.02434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5=CC=C(C=C5)Cl

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN4O2/c1-2-17-32-27(34)24-26(31(28(32)35)18-16-20-12-14-23(29)15-13-20)30-25(22-10-6-7-11-22)33(24)19-21-8-4-3-5-9-21/h3-5,8-9,12-15,22H,2,6-7,10-11,16-19H2,1H3