2-(6-aminopurin-9-yl)-5-(1-benzothiophen-3-yloxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(1-benzothiophen-3-yloxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(benzothiophen-3-yloxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(1-benzothiophen-3-yloxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(1-benzothiophen-3-yloxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-(benzothiophen-3-yloxymethyl)tetrahydrofuran-3,4-diol Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C18H17N5O4S/c19-16-13-17(21-7-20-16)23(8-22-13)18-15(25)14(24)10(27-18)5-26-11-6-28-12-4-2-1-3-9(11)12/h1-4,6-8,10,14-15,18,24-25H,5H2,(H2,19,20,21)