2-[3-[3-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)propyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[3-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)propyl]phenyl]ethanenitrile Openeye Name: 2-[3-[3-(6-amino-8-bromo-2-butoxy-purin-9-yl)propyl]phenyl]acetonitrile CAS Name: 2-[3-[3-(6-amino-8-bromo-2-butoxy-9-purinyl)propyl]phenyl]acetonitrile IUPAC Name: 2-[3-[3-(6-amino-8-bromo-2-butoxypurin-9-yl)propyl]phenyl]acetonitrile Traditional Name: 2-[3-[3-(6-amino-8-bromo-2-butoxy-purin-9-yl)propyl]phenyl]acetonitrile Formula: C20H23BrN6O MolecularWeight: 443.34022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCC3=CC=CC(=C3)CC#N)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCC3=CC=CC(=C3)CC#N)Br

InChI

InChI=1S/C20H23BrN6O/c1-2-3-12-28-20-25-17(23)16-18(26-20)27(19(21)24-16)11-5-8-14-6-4-7-15(13-14)9-10-22/h4,6-7,13H,2-3,5,8-9,11-12H2,1H3,(H2,23,25,26)