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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(propan-2-ylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(isopropylsulfanylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(propan-2-ylthio)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(propan-2-ylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[(isopropylthio)methylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C14H21N5O4S MolecularWeight: 355.41264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CC(C)SCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C14H21N5O4S/c1-7(2)24-6-18-12-9-13(16-4-15-12)19(5-17-9)14-11(22)10(21)8(3-20)23-14/h4-5,7-8,10-11,14,20-22H,3,6H2,1-2H3,(H,15,16,18)