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

Systemtic Name: 2-[6-(1,3-benzothiazol-6-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(1,3-benzothiazol-6-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(1,3-benzothiazol-6-ylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(1,3-benzothiazol-6-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(1,3-benzothiazol-6-ylmethylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)SC=N2

InChI

InChI=1S/C18H17N5O4S2/c24-4-11-14(25)15(26)18(27-11)23-7-21-13-16(23)19-6-20-17(13)28-5-9-1-2-10-12(3-9)29-8-22-10/h1-3,6-8,11,14-15,18,24-26H,4-5H2