3-[4-[2-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)ethoxy]phenyl]propanenitrile

Systemtic Name: 3-[4-[2-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)ethoxy]phenyl]propanenitrile Openeye Name: 3-[4-[2-(6-amino-8-bromo-2-butoxy-purin-9-yl)ethoxy]phenyl]propanenitrile CAS Name: 3-[4-[2-(6-amino-8-bromo-2-butoxy-9-purinyl)ethoxy]phenyl]propanenitrile IUPAC Name: 3-[4-[2-(6-amino-8-bromo-2-butoxypurin-9-yl)ethoxy]phenyl]propanenitrile Traditional Name: 3-[4-[2-(6-amino-8-bromo-2-butoxy-purin-9-yl)ethoxy]phenyl]propionitrile Formula: C20H23BrN6O2 MolecularWeight: 459.33962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCOC3=CC=C(C=C3)CCC#N)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCOC3=CC=C(C=C3)CCC#N)Br

InChI

InChI=1S/C20H23BrN6O2/c1-2-3-12-29-20-25-17(23)16-18(26-20)27(19(21)24-16)11-13-28-15-8-6-14(7-9-15)5-4-10-22/h6-9H,2-5,11-13H2,1H3,(H2,23,25,26)