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

Systemtic Name: 2-[6-(2,1-benzothiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(2,1-benzothiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(2,1-benzothiazol-5-ylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(2,1-benzothiazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(2,1-benzothiazol-5-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=NSC=C2C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

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

InChI

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