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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O4S/c1-4-5-26-16-19-13(18-8(2)3)10-14(20-16)21(7-17-10)15-12(24)11(23)9(6-22)25-15/h7-9,11-12,15,22-24H,4-6H2,1-3H3,(H,18,19,20)