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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)C(=O)O)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)C(=O)O)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

InChI

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