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

Systemtic Name: 2-(1,3-benzoxazol-2-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(1,3-benzoxazol-2-yloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(1,3-benzoxazol-2-yloxymethyl)-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(1,3-benzoxazol-2-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(1,3-benzoxazol-2-yloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H22N6O6 MolecularWeight: 454.43598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5=NC6=CC=CC=C6O5)O)O

Isomeric SMILES

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5=NC6=CC=CC=C6O5)O)O

InChI

InChI=1S/C21H22N6O6/c28-16-14(8-31-21-26-12-3-1-2-4-13(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/h1-4,9-11,14,16-17,20,28-29H,5-8H2,(H,22,23,25)