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

Systemtic Name: 2-[6-azanyl-1-[(2-methoxy-5-nitro-phenyl)methoxy]-2H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-1-[(2-methoxy-5-nitro-phenyl)methoxy]-2H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-1-[(2-methoxy-5-nitrophenyl)methoxy]-2H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-1-[(2-methoxy-5-nitrophenyl)methoxy]-2H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-1-(2-methoxy-5-nitro-benzyl)oxy-2H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H22N6O8 MolecularWeight: 450.40268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CON2CN=C3C(=C2N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CON2CN=C3C(=C2N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H22N6O8/c1-30-11-3-2-10(24(28)29)4-9(11)6-31-23-8-21-17-13(16(23)19)20-7-22(17)18-15(27)14(26)12(5-25)32-18/h2-4,7,12,14-15,18,25-27H,5-6,8,19H2,1H3