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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-methylol-2-(2-nitrobenzyl)tetrahydrofuran-3,4-diol Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2(C(C(C(O2)CO)O)O)N3C=NC4=C3N=CN=C4N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2(C(C(C(O2)CO)O)O)N3C=NC4=C3N=CN=C4N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6/c18-15-12-16(20-7-19-15)22(8-21-12)17(14(26)13(25)11(6-24)29-17)5-9-3-1-2-4-10(9)23(27)28/h1-4,7-8,11,13-14,24-26H,5-6H2,(H2,18,19,20)