2-[6-(2,1-benzoxazol-7-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(2,1-benzoxazol-7-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(2,1-benzoxazol-7-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(2,1-benzoxazol-7-ylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(2,1-benzoxazol-7-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(anthranil-7-ylmethylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CON=C2C(=C1)CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC2=CON=C2C(=C1)CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C18H17N5O5S/c24-4-11-14(25)15(26)18(28-11)23-8-21-13-16(23)19-7-20-17(13)29-6-10-3-1-2-9-5-27-22-12(9)10/h1-3,5,7-8,11,14-15,18,24-26H,4,6H2