4-[2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzoic acid

Systemtic Name: 4-[2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzoic acid Openeye Name: 4-[[1-[6-amino-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-8-yl]-1-methyl-ethoxy]methyl]benzoic acid CAS Name: 4-[2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-purinyl]propan-2-yloxymethyl]benzoic acid IUPAC Name: 4-[2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzoic acid Traditional Name: 4-[[1-[6-amino-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-8-yl]-1-methyl-ethoxy]methyl]benzoic acid Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H33N5O5/c1-29(2,38-16-18-8-11-20(12-9-18)27(35)36)28-32-24-25(30)31-17-34(26(24)33-28)15-19-10-13-22(37-3)23(14-19)39-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3,(H,35,36)