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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CSC(=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C16H19N5O4S/c22-6-10-12(23)13(24)16(25-10)21-8-20-11-14(18-7-19-15(11)21)17-4-3-9-2-1-5-26-9/h1-2,5,7-8,10,12-13,16,22-24H,3-4,6H2,(H,17,18,19)