2-(hydroxymethyl)-5-[6-(4-methylphenyl)sulfanylpurin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(4-methylphenyl)sulfanylpurin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(p-tolylsulfanyl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(4-methylphenyl)thio]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(4-methylphenyl)sulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(p-tolylthio)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H18N4O4S/c1-9-2-4-10(5-3-9)26-16-12-15(18-7-19-16)21(8-20-12)17-14(24)13(23)11(6-22)25-17/h2-5,7-8,11,13-14,17,22-24H,6H2,1H3