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

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

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)CCCC5=CC=C(C=C5)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=C(C=C5)O

InChI

InChI=1S/C29H34N4O3/c1-2-18-32-28(35)25-27(31(29(32)36)19-8-11-21-14-16-24(34)17-15-21)30-26(23-12-6-7-13-23)33(25)20-22-9-4-3-5-10-22/h3-5,9-10,14-17,23,34H,2,6-8,11-13,18-20H2,1H3