2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methyl]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methyl]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methyl]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methyl]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methyl]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(4-nitrobenzyl)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C17H17N5O6 MolecularWeight: 387.34678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O6/c23-6-12-14(24)15(25)17(28-12)21-8-20-13-11(18-7-19-16(13)21)5-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,12,14-15,17,23-25H,5-6H2