2-[5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanenitrile

Systemtic Name: 2-[5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanenitrile Openeye Name: 2-[5-[(6-amino-2-butoxy-purin-9-yl)methyl]-2-fluoro-phenyl]acetonitrile CAS Name: 2-[5-[(6-amino-2-butoxy-9-purinyl)methyl]-2-fluorophenyl]acetonitrile IUPAC Name: 2-[5-[(6-amino-2-butoxypurin-9-yl)methyl]-2-fluorophenyl]acetonitrile Traditional Name: 2-[5-[(6-amino-2-butoxy-purin-9-yl)methyl]-2-fluoro-phenyl]acetonitrile Formula: C18H19FN6O MolecularWeight: 354.381463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)CC#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)CC#N

InChI

InChI=1S/C18H19FN6O/c1-2-3-8-26-18-23-16(21)15-17(24-18)25(11-22-15)10-12-4-5-14(19)13(9-12)6-7-20/h4-5,9,11H,2-3,6,8,10H2,1H3,(H2,21,23,24)