N-[6-(phenylmethylsulfanyl)purin-9-yl]ethanamide

Systemtic Name: N-[6-(phenylmethylsulfanyl)purin-9-yl]ethanamide Openeye Name: N-(6-benzylsulfanylpurin-9-yl)acetamide CAS Name: N-[6-(phenylmethylthio)-9-purinyl]acetamide IUPAC Name: N-(6-benzylsulfanylpurin-9-yl)acetamide Traditional Name: N-[6-(benzylthio)purin-9-yl]acetamide Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C=NC2=C1N=CN=C2SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NN1C=NC2=C1N=CN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C14H13N5OS/c1-10(20)18-19-9-17-12-13(19)15-8-16-14(12)21-7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,18,20)