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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(2-thiophen-3-ylethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[2-(3-thienyl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[2-(3-thiophenyl)ethylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(2-thiophen-3-ylethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[2-(3-thienyl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CSC=C1CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C16H19N5O4S/c22-5-10-12(23)13(24)16(25-10)21-8-20-11-14(18-7-19-15(11)21)17-3-1-9-2-4-26-6-9/h2,4,6-8,10,12-13,16,22-24H,1,3,5H2,(H,17,18,19)