(E)-6-[9-(phenylmethyl)purin-6-yl]hex-5-enenitrile

Systemtic Name: (E)-6-[9-(phenylmethyl)purin-6-yl]hex-5-enenitrile Openeye Name: (E)-6-(9-benzylpurin-6-yl)hex-5-enenitrile CAS Name: (E)-6-[9-(phenylmethyl)-6-purinyl]-5-hexenenitrile IUPAC Name: (E)-6-(9-benzylpurin-6-yl)hex-5-enenitrile Traditional Name: (E)-6-(9-benzylpurin-6-yl)hex-5-enenitrile Formula: C18H17N5 MolecularWeight: 303.36108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5/c19-11-7-2-1-6-10-16-17-18(21-13-20-16)23(14-22-17)12-15-8-4-3-5-9-15/h3-6,8-10,13-14H,1-2,7,12H2/b10-6+