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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(1-phenylsulfanylethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(1-phenylsulfanylethylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[1-(phenylthio)ethylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(1-phenylsulfanylethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[1-(phenylthio)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC4=CC=CC=C4

Isomeric SMILES

CC(NC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O4S/c1-10(28-11-5-3-2-4-6-11)22-16-13-17(20-8-19-16)23(9-21-13)18-15(26)14(25)12(7-24)27-18/h2-6,8-10,12,14-15,18,24-26H,7H2,1H3,(H,19,20,22)