8-[2-(1,3-benzodioxol-5-ylmethoxy)propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-6-amine

Systemtic Name: 8-[2-(1,3-benzodioxol-5-ylmethoxy)propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-6-amine Openeye Name: 8-[1-(1,3-benzodioxol-5-ylmethoxy)-1-methyl-ethyl]-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-6-amine CAS Name: 8-[2-(1,3-benzodioxol-5-ylmethoxy)propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-purinamine IUPAC Name: 8-[2-(1,3-benzodioxol-5-ylmethoxy)propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-6-amine Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-(1-methyl-1-piperonyloxy-ethyl)purin-6-yl]amine 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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC6=C(C=C5)OCO6

InChI

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