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

Systemtic Name: methyl 4-[2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzoate Openeye Name: methyl 4-[[1-[6-amino-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-8-yl]-1-methyl-ethoxy]methyl]benzoate CAS Name: 4-[2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-purinyl]propan-2-yloxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzoate Traditional Name: 4-[[1-[6-amino-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-8-yl]-1-methyl-ethoxy]methyl]benzoic acid methyl ester Formula: C30H35N5O5 MolecularWeight: 545.6294

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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)OC

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)OC

InChI

InChI=1S/C30H35N5O5/c1-30(2,39-17-19-9-12-21(13-10-19)28(36)38-4)29-33-25-26(31)32-18-35(27(25)34-29)16-20-11-14-23(37-3)24(15-20)40-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,31H2,1-4H3