N-[9-ethanoyl-6-(phenylmethylsulfanyl)purin-2-yl]ethanamide

Systemtic Name: N-[9-ethanoyl-6-(phenylmethylsulfanyl)purin-2-yl]ethanamide Openeye Name: N-(9-acetyl-6-benzylsulfanyl-purin-2-yl)acetamide CAS Name: N-[9-acetyl-6-(phenylmethylthio)-2-purinyl]acetamide IUPAC Name: N-(9-acetyl-6-benzylsulfanylpurin-2-yl)acetamide Traditional Name: N-[9-acetyl-6-(benzylthio)purin-2-yl]acetamide Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(=O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(=O)C

InChI

InChI=1S/C16H15N5O2S/c1-10(22)18-16-19-14-13(17-9-21(14)11(2)23)15(20-16)24-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,18,19,20,22)