2-[2-fluoranyl-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-fluoranyl-6-(phenylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-benzylsulfanyl-2-fluoro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-fluoro-6-(phenylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-benzylsulfanyl-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-2-fluoro-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H17FN4O4S MolecularWeight: 392.404683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)F

InChI

InChI=1S/C17H17FN4O4S/c18-17-20-14-11(15(21-17)27-7-9-4-2-1-3-5-9)19-8-22(14)16-13(25)12(24)10(6-23)26-16/h1-5,8,10,12-13,16,23-25H,6-7H2