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

Systemtic Name: 2-[6-[2-(1-benzothiophen-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-[2-(benzothiophen-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[2-(1-benzothiophen-3-yl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-[2-(1-benzothiophen-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-[2-(benzothiophen-3-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C20H21N5O4S/c26-7-13-16(27)17(28)20(29-13)25-10-24-15-18(22-9-23-19(15)25)21-6-5-11-8-30-14-4-2-1-3-12(11)14/h1-4,8-10,13,16-17,20,26-28H,5-7H2,(H,21,22,23)