2-[3-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[3-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]ethanenitrile Openeye Name: 2-[3-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]acetonitrile CAS Name: 2-[3-[(6-amino-8-bromo-2-butoxy-9-purinyl)methyl]-4-methoxyphenyl]acetonitrile IUPAC Name: 2-[3-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]-4-methoxyphenyl]acetonitrile Traditional Name: 2-[3-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]acetonitrile Formula: C19H21BrN6O2 MolecularWeight: 445.31304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=C(C=CC(=C3)CC#N)OC)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=C(C=CC(=C3)CC#N)OC)Br

InChI

InChI=1S/C19H21BrN6O2/c1-3-4-9-28-19-24-16(22)15-17(25-19)26(18(20)23-15)11-13-10-12(7-8-21)5-6-14(13)27-2/h5-6,10H,3-4,7,9,11H2,1-2H3,(H2,22,24,25)