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

Systemtic Name: 8-[1-(1,3-benzodioxol-5-ylmethoxy)propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-6-amine Openeye Name: 8-[2-(1,3-benzodioxol-5-ylmethoxy)-1-methyl-ethyl]-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-6-amine CAS Name: 8-[1-(1,3-benzodioxol-5-ylmethoxy)propan-2-yl]-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-purinamine IUPAC Name: 8-[1-(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-2-piperonyloxy-ethyl)purin-6-yl]amine Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC2=C(C=C1)OCO2)C3=NC4=C(N=CN(C4=N3)CC5=CC(=C(C=C5)OC)OC6CCCC6)N

Isomeric SMILES

CC(COCC1=CC2=C(C=C1)OCO2)C3=NC4=C(N=CN(C4=N3)CC5=CC(=C(C=C5)OC)OC6CCCC6)N

InChI

InChI=1S/C29H33N5O5/c1-18(14-36-15-20-8-10-23-24(12-20)38-17-37-23)28-32-26-27(30)31-16-34(29(26)33-28)13-19-7-9-22(35-2)25(11-19)39-21-5-3-4-6-21/h7-12,16,18,21H,3-6,13-15,17,30H2,1-2H3