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

Systemtic Name: 2-[9-(phenylmethyl)purin-6-yl]sulfanylethanol Openeye Name: 2-(9-benzylpurin-6-yl)sulfanylethanol CAS Name: 2-[[9-(phenylmethyl)-6-purinyl]thio]ethanol IUPAC Name: 2-(9-benzylpurin-6-yl)sulfanylethanol Traditional Name: 2-[(9-benzylpurin-6-yl)thio]ethanol Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCO

InChI

InChI=1S/C14H14N4OS/c19-6-7-20-14-12-13(15-9-16-14)18(10-17-12)8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2