2-[9-(phenylmethyl)purin-6-yl]ethanethiol

Systemtic Name: 2-[9-(phenylmethyl)purin-6-yl]ethanethiol Openeye Name: 2-(9-benzylpurin-6-yl)ethanethiol CAS Name: 2-[9-(phenylmethyl)-6-purinyl]ethanethiol IUPAC Name: 2-(9-benzylpurin-6-yl)ethanethiol Traditional Name: 2-(9-benzylpurin-6-yl)ethanethiol Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CCS

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)CCS

InChI

InChI=1S/C14H14N4S/c19-7-6-12-13-14(16-9-15-12)18(10-17-13)8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2