5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(8-butyl-9-purinyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(8-butylpurin-9-yl)methyl]-2-phenyl-benzonitrile Formula: C23H21N5 MolecularWeight: 367.44634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=CN=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCC1=NC2=CN=CN=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N5/c1-2-3-9-22-27-21-14-25-16-26-23(21)28(22)15-17-10-11-20(19(12-17)13-24)18-7-5-4-6-8-18/h4-8,10-12,14,16H,2-3,9,15H2,1H3