3-[9-(phenylmethyl)purin-6-yl]propanenitrile

Systemtic Name: 3-[9-(phenylmethyl)purin-6-yl]propanenitrile Openeye Name: 3-(9-benzylpurin-6-yl)propanenitrile CAS Name: 3-[9-(phenylmethyl)-6-purinyl]propanenitrile IUPAC Name: 3-(9-benzylpurin-6-yl)propanenitrile Traditional Name: 3-(9-benzylpurin-6-yl)propionitrile Formula: C15H13N5 MolecularWeight: 263.29722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CCC#N

InChI

InChI=1S/C15H13N5/c16-8-4-7-13-14-15(18-10-17-13)20(11-19-14)9-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7,9H2