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

Systemtic Name: 6-[9-(phenylmethyl)purin-6-yl]hex-5-ynenitrile Openeye Name: 6-(9-benzylpurin-6-yl)hex-5-ynenitrile CAS Name: 6-[9-(phenylmethyl)-6-purinyl]-5-hexynenitrile IUPAC Name: 6-(9-benzylpurin-6-yl)hex-5-ynenitrile Traditional Name: 6-(9-benzylpurin-6-yl)hex-5-ynenitrile Formula: C18H15N5 MolecularWeight: 301.3452

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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#CCCCC#N

InChI

InChI=1S/C18H15N5/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/h3-5,8-9,13-14H,1-2,7,12H2