3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)propan-2-yl]purin-6-amine

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)propan-2-yl]purin-6-amine Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-1-methyl-ethyl]purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)propan-2-yl]-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)propan-2-yl]purin-6-amine Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-1-methyl-ethyl]purin-6-yl]amine 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=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C30H35N5O5/c1-30(2,39-17-20-9-11-23-24(15-20)38-13-12-37-23)29-33-26-27(31)32-18-35(28(26)34-29)16-19-8-10-22(36-3)25(14-19)40-21-6-4-5-7-21/h8-11,14-15,18,21H,4-7,12-13,16-17,31H2,1-3H3