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

Systemtic Name: 2-(isoquinolin-5-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(5-isoquinolyloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(5-isoquinolinyloxymethyl)-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(isoquinolin-5-yloxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(5-isoquinolyloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C23H24N6O5 MolecularWeight: 464.47386

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5=CC=CC6=C5C=CN=C6)O)O

Isomeric SMILES

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC5=CC=CC6=C5C=CN=C6)O)O

InChI

InChI=1S/C23H24N6O5/c30-19-17(10-33-16-3-1-2-13-8-24-6-4-15(13)16)34-23(20(19)31)29-12-27-18-21(25-11-26-22(18)29)28-14-5-7-32-9-14/h1-4,6,8,11-12,14,17,19-20,23,30-31H,5,7,9-10H2,(H,25,26,28)