N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-(2-methylsulfanylethyl)purin-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-(2-methylsulfanylethyl)purin-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2-methylsulfanylethyl)purin-2-yl]-2-phenoxy-acetamide CAS Name: N-[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-[2-(methylthio)ethyl]-2-purinyl]-2-phenoxyacetamide IUPAC Name: N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-methylsulfanylethyl)purin-2-yl]-2-phenoxyacetamide Traditional Name: N-[9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-6-[2-(methylthio)ethyl]purin-2-yl]-2-phenoxy-acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C2C(=NC(=N1)NC(=O)COC3=CC=CC=C3)N(C=N2)C4CC(C(O4)CO)O

Isomeric SMILES

CSCCC1=C2C(=NC(=N1)NC(=O)COC3=CC=CC=C3)N(C=N2)C4CC(C(O4)CO)O

InChI

InChI=1S/C21H25N5O5S/c1-32-8-7-14-19-20(26(12-22-19)18-9-15(28)16(10-27)31-18)25-21(23-14)24-17(29)11-30-13-5-3-2-4-6-13/h2-6,12,15-16,18,27-28H,7-11H2,1H3,(H,23,24,25,29)