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

Systemtic Name: 2-[6-(1H-benzimidazol-4-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(1H-benzimidazol-4-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(1H-benzimidazol-4-ylmethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(1H-benzimidazol-4-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(1H-benzimidazol-4-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=CC(=C2C(=C1)NC=N2)CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC(=C2C(=C1)NC=N2)CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

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