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

Systemtic Name: 2-[6-(3H-benzimidazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(3H-benzimidazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(3H-benzimidazol-5-ylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(3H-benzimidazol-5-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(3H-benzimidazol-5-ylmethylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H18N6O4S MolecularWeight: 414.43832

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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)NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4S/c25-4-12-14(26)15(27)18(28-12)24-8-23-13-16(24)21-7-22-17(13)29-5-9-1-2-10-11(3-9)20-6-19-10/h1-3,6-8,12,14-15,18,25-27H,4-5H2,(H,19,20)