2-(hydroxymethyl)-5-[6-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(7-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)23-4-3-10-1-2-12(25(29)30)5-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2