2-(6-aminopurin-9-yl)-5-[(6-thiophen-3-ylcyclohex-3-en-1-yl)oxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[(6-thiophen-3-ylcyclohex-3-en-1-yl)oxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[[6-(3-thienyl)cyclohex-3-en-1-yl]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[6-(3-thiophenyl)-1-cyclohex-3-enyl]oxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[(6-thiophen-3-ylcyclohex-3-en-1-yl)oxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[6-(3-thienyl)cyclohex-3-en-1-yl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=CSC=C2)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

C1C=CCC(C1C2=CSC=C2)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C20H23N5O4S/c21-18-15-19(23-9-22-18)25(10-24-15)20-17(27)16(26)14(29-20)7-28-13-4-2-1-3-12(13)11-5-6-30-8-11/h1-2,5-6,8-10,12-14,16-17,20,26-27H,3-4,7H2,(H2,21,22,23)