9-[3-[4-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propyl]-2-methyl-purin-6-amine

Systemtic Name: 9-[3-[4-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propyl]-2-methyl-purin-6-amine Openeye Name: 9-[3-[4-[(4-fluorophenoxy)methyl]-1-piperidyl]propyl]-2-methyl-purin-6-amine CAS Name: 9-[3-[4-[(4-fluorophenoxy)methyl]-1-piperidinyl]propyl]-2-methyl-6-purinamine IUPAC Name: 9-[3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]propyl]-2-methylpurin-6-amine Traditional Name: [9-[3-[4-[(4-fluorophenoxy)methyl]piperidino]propyl]-2-methyl-purin-6-yl]amine Formula: C21H27FN6O MolecularWeight: 398.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2CCCN3CCC(CC3)COC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2CCCN3CCC(CC3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN6O/c1-15-25-20(23)19-21(26-15)28(14-24-19)10-2-9-27-11-7-16(8-12-27)13-29-18-5-3-17(22)4-6-18/h3-6,14,16H,2,7-13H2,1H3,(H2,23,25,26)