N-[6-(phenylmethylsulfanyl)-5H-purin-2-yl]ethanamide

Systemtic Name: N-[6-(phenylmethylsulfanyl)-5H-purin-2-yl]ethanamide Openeye Name: N-(6-benzylsulfanyl-5H-purin-2-yl)acetamide CAS Name: N-[6-(phenylmethylthio)-5H-purin-2-yl]acetamide IUPAC Name: N-(6-benzylsulfanyl-5H-purin-2-yl)acetamide Traditional Name: N-[6-(benzylthio)-5H-purin-2-yl]acetamide Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=NC=NC2C(=N1)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC2=NC=NC2C(=N1)SCC3=CC=CC=C3

InChI

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