(2R,3S,4R)-2-(hydroxymethyl)-5-[1-(2-thiophen-2-ylethylamino)-6H-purin-9-yl]oxolane-3,4-diol

Systemtic Name: (2R,3S,4R)-2-(hydroxymethyl)-5-[1-(2-thiophen-2-ylethylamino)-6H-purin-9-yl]oxolane-3,4-diol Openeye Name: (2R,3S,4R)-2-(hydroxymethyl)-5-[1-[2-(2-thienyl)ethylamino]-6H-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: (2R,3S,4R)-2-(hydroxymethyl)-5-[1-(2-thiophen-2-ylethylamino)-6H-purin-9-yl]oxolane-3,4-diol IUPAC Name: (2R,3S,4R)-2-(hydroxymethyl)-5-[1-(2-thiophen-2-ylethylamino)-6H-purin-9-yl]oxolane-3,4-diol Traditional Name: (2R,3S,4R)-2-methylol-5-[1-[2-(2-thienyl)ethylamino]-6H-purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=CN1NCCC3=CC=CS3)N(C=N2)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1C2=C(N=CN1NCCC3=CC=CS3)N(C=N2)C4[C@@H]([C@@H]([C@H](O4)CO)O)O

InChI

InChI=1S/C16H21N5O4S/c22-7-12-13(23)14(24)16(25-12)21-9-17-11-6-20(8-18-15(11)21)19-4-3-10-2-1-5-26-10/h1-2,5,8-9,12-14,16,19,22-24H,3-4,6-7H2/t12-,13-,14-,16?/m1/s1