2-(hydroxymethyl)-5-[6-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)[N+](=O)[O-])C3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)[N+](=O)[O-])C3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-5-4-11-10(6-23)2-1-3-12(11)25(29)30/h1-3,8-9,13,15-16,19,26-28H,4-7H2