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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(propylamino)-2-propylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(propylamino)-2-propylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(propylamino)-2-(propylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(propylamino)-2-propylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(propylamino)-2-(propylthio)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H25N5O4S MolecularWeight: 383.4658

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SCCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SCCC

InChI

InChI=1S/C16H25N5O4S/c1-3-5-17-13-10-14(20-16(19-13)26-6-4-2)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)