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

Systemtic Name: 2-[6-azanyl-2-[2-(thian-4-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(2-tetrahydrothiopyran-4-ylethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[2-(4-thianyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[2-(thian-4-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(2-tetrahydrothiopyran-4-ylethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H26N6O4S MolecularWeight: 410.49114

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1CSCCC1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H26N6O4S/c18-14-11-15(22-17(21-14)19-4-1-9-2-5-28-6-3-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,1-7H2,(H3,18,19,21,22)