(2R,3R,4S,5R)-2-(6-methylsulfanylpurin-9-yl)-5-phenethyl-oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-(6-methylsulfanylpurin-9-yl)-5-phenethyl-oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-(6-methylsulfanylpurin-9-yl)-5-phenethyl-tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-(methylthio)-9-purinyl]-5-phenethyloxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-(6-methylsulfanylpurin-9-yl)-5-phenethyloxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-(methylthio)purin-9-yl]-5-phenethyl-tetrahydrofuran-3,4-diol Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CCC4=CC=CC=C4)O)O

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CCC4=CC=CC=C4)O)O

InChI

InChI=1S/C18H20N4O3S/c1-26-17-13-16(19-9-20-17)22(10-21-13)18-15(24)14(23)12(25-18)8-7-11-5-3-2-4-6-11/h2-6,9-10,12,14-15,18,23-24H,7-8H2,1H3/t12-,14-,15-,18-/m1/s1