4-[(8-butylpurin-9-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(8-butylpurin-9-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(8-butylpurin-9-yl)methyl]benzonitrile CAS Name: 4-[(8-butyl-9-purinyl)methyl]benzonitrile IUPAC Name: 4-[(8-butylpurin-9-yl)methyl]benzonitrile Traditional Name: 4-[(8-butylpurin-9-yl)methyl]benzonitrile Formula: C17H17N5 MolecularWeight: 291.35038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=CN=C2N1CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=NC2=CN=CN=C2N1CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H17N5/c1-2-3-4-16-21-15-10-19-12-20-17(15)22(16)11-14-7-5-13(9-18)6-8-14/h5-8,10,12H,2-4,11H2,1H3