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

Systemtic Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-xanthine Formula: C29H34N4O3 MolecularWeight: 486.60526

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O3/c1-3-18-32-28(34)25-27(31(29(32)35)19-17-21-13-15-24(36-2)16-14-21)30-26(23-11-7-8-12-23)33(25)20-22-9-5-4-6-10-22/h4-6,9-10,13-16,23H,3,7-8,11-12,17-20H2,1-2H3