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

Systemtic Name: N-butyl-9-[3-[4-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propyl]purin-6-amine Openeye Name: N-butyl-9-[3-[4-[(4-fluorophenoxy)methyl]-1-piperidyl]propyl]purin-6-amine CAS Name: N-butyl-9-[3-[4-[(4-fluorophenoxy)methyl]-1-piperidinyl]propyl]-6-purinamine IUPAC Name: N-butyl-9-[3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]propyl]purin-6-amine Traditional Name: butyl-[9-[3-[4-[(4-fluorophenoxy)methyl]piperidino]propyl]purin-6-yl]amine Formula: C24H33FN6O MolecularWeight: 440.556823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC2=C1N=CN2CCCN3CCC(CC3)COC4=CC=C(C=C4)F

Isomeric SMILES

CCCCNC1=NC=NC2=C1N=CN2CCCN3CCC(CC3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C24H33FN6O/c1-2-3-11-26-23-22-24(28-17-27-23)31(18-29-22)13-4-12-30-14-9-19(10-15-30)16-32-21-7-5-20(25)6-8-21/h5-8,17-19H,2-4,9-16H2,1H3,(H,26,27,28)