2-(1,3-benzothiazol-2-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(1,3-benzothiazol-2-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(1,3-benzothiazol-2-yloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(1,3-benzothiazol-2-yloxymethyl)-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(1,3-benzothiazol-2-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(1,3-benzothiazol-2-yloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5=NC6=CC=CC=C6S5)O)O

Isomeric SMILES

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5=NC6=CC=CC=C6S5)O)O

InChI

InChI=1S/C21H22N6O5S/c28-16-13(8-31-21-26-12-3-1-2-4-14(12)33-21)32-20(17(16)29)27-10-24-15-18(22-9-23-19(15)27)25-11-5-6-30-7-11/h1-4,9-11,13,16-17,20,28-29H,5-8H2,(H,22,23,25)