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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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