2-(hydroxymethyl)-5-(6-phenethylsulfanylpurin-9-yl)oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-(6-phenethylsulfanylpurin-9-yl)oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-(6-phenethylsulfanylpurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(phenethylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-(6-phenethylsulfanylpurin-9-yl)oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(phenethylthio)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H20N4O4S/c23-8-12-14(24)15(25)18(26-12)22-10-21-13-16(22)19-9-20-17(13)27-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,23-25H,6-8H2