2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)-8-pyrrolidin-1-yl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)-8-pyrrolidin-1-yl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(6-benzylsulfanyl-8-pyrrolidin-1-yl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(phenylmethylthio)-8-(1-pyrrolidinyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(6-benzylsulfanyl-8-pyrrolidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylthio)-8-pyrrolidino-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C21H25N5O4S/c27-10-14-16(28)17(29)20(30-14)26-18-15(24-21(26)25-8-4-5-9-25)19(23-12-22-18)31-11-13-6-2-1-3-7-13/h1-3,6-7,12,14,16-17,20,27-29H,4-5,8-11H2