2-[3-[2-(6-azanyl-2-butoxy-purin-9-yl)ethyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[2-(6-azanyl-2-butoxy-purin-9-yl)ethyl]phenyl]ethanenitrile Openeye Name: 2-[3-[2-(6-amino-2-butoxy-purin-9-yl)ethyl]phenyl]acetonitrile CAS Name: 2-[3-[2-(6-amino-2-butoxy-9-purinyl)ethyl]phenyl]acetonitrile IUPAC Name: 2-[3-[2-(6-amino-2-butoxypurin-9-yl)ethyl]phenyl]acetonitrile Traditional Name: 2-[3-[2-(6-amino-2-butoxy-purin-9-yl)ethyl]phenyl]acetonitrile Formula: C19H22N6O MolecularWeight: 350.41758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCC3=CC=CC(=C3)CC#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCC3=CC=CC(=C3)CC#N

InChI

InChI=1S/C19H22N6O/c1-2-3-11-26-19-23-17(21)16-18(24-19)25(13-22-16)10-8-15-6-4-5-14(12-15)7-9-20/h4-6,12-13H,2-3,7-8,10-11H2,1H3,(H2,21,23,24)