S-(2-acetamido-7H-purin-6-yl) ethanethioate

Systemtic Name: S-(2-acetamido-7H-purin-6-yl) ethanethioate Openeye Name: S-(2-acetamido-7H-purin-6-yl) ethanethioate CAS Name: ethanethioic acid S-(2-acetamido-7H-purin-6-yl) ester IUPAC Name: S-(2-acetamido-7H-purin-6-yl) ethanethioate Traditional Name: ethanethioic acid S-(2-acetamido-7H-purin-6-yl) ester Formula: C9H9N5O2S MolecularWeight: 251.26506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SC(=O)C)NC=N2

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SC(=O)C)NC=N2

InChI

InChI=1S/C9H9N5O2S/c1-4(15)12-9-13-7-6(10-3-11-7)8(14-9)17-5(2)16/h3H,1-2H3,(H2,10,11,12,13,14,15)