3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]purin-6-amine dihydrochloride

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]purin-6-amine dihydrochloride Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[1-methyl-1-(4-pyridylmethoxy)ethyl]purin-6-amine dihydrochloride CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]-6-purinamine dihydrochloride IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]purin-6-amine dihydrochloride Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-[1-methyl-1-(4-pyridylmethoxy)ethyl]purin-6-yl]amine dihydrochloride Formula: C27H34Cl2N6O3 MolecularWeight: 561.50326

Click to see the large picture

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=NC=C5.Cl.Cl

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=NC=C5.Cl.Cl

InChI

InChI=1S/C27H32N6O3.2ClH/c1-27(2,35-16-18-10-12-29-13-11-18)26-31-23-24(28)30-17-33(25(23)32-26)15-19-8-9-21(34-3)22(14-19)36-20-6-4-5-7-20;;/h8-14,17,20H,4-7,15-16,28H2,1-3H3;2*1H