3-(1,3-benzodioxol-5-ylmethyl)-8-[1-[(4-fluorophenyl)methoxy]propan-2-yl]purin-6-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[1-[(4-fluorophenyl)methoxy]propan-2-yl]purin-6-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[2-[(4-fluorophenyl)methoxy]-1-methyl-ethyl]purin-6-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[1-[(4-fluorophenyl)methoxy]propan-2-yl]-6-purinamine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-[1-[(4-fluorophenyl)methoxy]propan-2-yl]purin-6-amine Traditional Name: [8-[2-(4-fluorobenzyl)oxy-1-methyl-ethyl]-3-piperonyl-purin-6-yl]amine Formula: C23H22FN5O3 MolecularWeight: 435.450883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=C(C=C1)F)C2=NC3=C(N=CN(C3=N2)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC(COCC1=CC=C(C=C1)F)C2=NC3=C(N=CN(C3=N2)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C23H22FN5O3/c1-14(10-30-11-15-2-5-17(24)6-3-15)22-27-20-21(25)26-12-29(23(20)28-22)9-16-4-7-18-19(8-16)32-13-31-18/h2-8,12,14H,9-11,13,25H2,1H3