2-(hydroxymethyl)-5-[6-(2-methylsulfanylethylamino)-2-propylsulfanyl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(2-methylsulfanylethylamino)-2-propylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(2-methylsulfanylethylamino)-2-propylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[2-(methylthio)ethylamino]-2-(propylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(2-methylsulfanylethylamino)-2-propylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[2-(methylthio)ethylamino]-2-(propylthio)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H25N5O4S2 MolecularWeight: 415.5308

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NCCSC)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NCCSC)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C16H25N5O4S2/c1-3-5-27-16-19-13(17-4-6-26-2)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)25-15/h8-9,11-12,15,22-24H,3-7H2,1-2H3,(H,17,19,20)