2-[2-[2-(6-azanyl-2-butoxy-purin-9-yl)ethoxy]phenyl]ethanenitrile

Systemtic Name: 2-[2-[2-(6-azanyl-2-butoxy-purin-9-yl)ethoxy]phenyl]ethanenitrile Openeye Name: 2-[2-[2-(6-amino-2-butoxy-purin-9-yl)ethoxy]phenyl]acetonitrile CAS Name: 2-[2-[2-(6-amino-2-butoxy-9-purinyl)ethoxy]phenyl]acetonitrile IUPAC Name: 2-[2-[2-(6-amino-2-butoxypurin-9-yl)ethoxy]phenyl]acetonitrile Traditional Name: 2-[2-[2-(6-amino-2-butoxy-purin-9-yl)ethoxy]phenyl]acetonitrile Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCOC3=CC=CC=C3CC#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCOC3=CC=CC=C3CC#N

InChI

InChI=1S/C19H22N6O2/c1-2-3-11-27-19-23-17(21)16-18(24-19)25(13-22-16)10-12-26-15-7-5-4-6-14(15)8-9-20/h4-7,13H,2-3,8,10-12H2,1H3,(H2,21,23,24)