2-[6-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(2,1,3-benzoxadiazol-5-ylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzofurazan-5-ylmethylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H16N6O5S MolecularWeight: 416.41114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NON=C2C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC2=NON=C2C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C17H16N6O5S/c24-4-11-13(25)14(26)17(27-11)23-7-20-12-15(23)18-6-19-16(12)29-5-8-1-2-9-10(3-8)22-28-21-9/h1-3,6-7,11,13-14,17,24-26H,4-5H2