3-(3H-1,2-benzodioxol-6-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]purin-6-amine

Systemtic Name: 3-(3H-1,2-benzodioxol-6-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]purin-6-amine Openeye Name: 3-(3H-1,2-benzodioxol-6-ylmethyl)-8-[1-[(4-fluorophenyl)methoxy]-1-methyl-ethyl]purin-6-amine CAS Name: 3-(3H-1,2-benzodioxol-6-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]-6-purinamine IUPAC Name: 3-(3H-1,2-benzodioxol-6-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]purin-6-amine Traditional Name: [3-(3H-1,2-benzodioxol-6-ylmethyl)-8-[1-(4-fluorobenzyl)oxy-1-methyl-ethyl]purin-6-yl]amine Formula: C23H22FN5O3 MolecularWeight: 435.450883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC4=C(COO4)C=C3)N)OCC5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC4=C(COO4)C=C3)N)OCC5=CC=C(C=C5)F

InChI

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