3-(1,3-benzodioxol-5-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]purin-2-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]purin-2-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[1-[(4-fluorophenyl)methoxy]-1-methyl-ethyl]purin-2-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]-2-purinamine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]purin-2-amine Traditional Name: [8-[1-(4-fluorobenzyl)oxy-1-methyl-ethyl]-3-piperonyl-purin-2-yl]amine Formula: C23H22FN5O3 MolecularWeight: 435.450883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=CN=C(N(C2=N1)CC3=CC4=C(C=C3)OCO4)N)OCC5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C1=NC2=CN=C(N(C2=N1)CC3=CC4=C(C=C3)OCO4)N)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C23H22FN5O3/c1-23(2,32-12-14-3-6-16(24)7-4-14)21-27-17-10-26-22(25)29(20(17)28-21)11-15-5-8-18-19(9-15)31-13-30-18/h3-10H,11-13H2,1-2H3,(H2,25,26)