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

Systemtic Name: 2-(hydroxymethyl)-5-[6-[2-(6-methoxy-1-benzothiophen-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[2-(6-methoxybenzothiophen-3-yl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[2-(6-methoxy-1-benzothiophen-3-yl)ethylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[2-(6-methoxy-1-benzothiophen-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[2-(6-methoxybenzothiophen-3-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CS2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CS2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H23N5O5S/c1-30-12-2-3-13-11(8-32-15(13)6-12)4-5-22-19-16-20(24-9-23-19)26(10-25-16)21-18(29)17(28)14(7-27)31-21/h2-3,6,8-10,14,17-18,21,27-29H,4-5,7H2,1H3,(H,22,23,24)