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

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-2-(3-nitrophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-nitrophenyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-nitrophenyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-nitrophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-nitrophenyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H16N6O6 MolecularWeight: 388.33484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C(=N2)N)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

InChI

InChI=1S/C16H16N6O6/c17-13-10-15(20-14(19-13)7-2-1-3-8(4-7)22(26)27)21(6-18-10)16-12(25)11(24)9(5-23)28-16/h1-4,6,9,11-12,16,23-25H,5H2,(H2,17,19,20)/t9-,11-,12-,16-/m1/s1