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

Systemtic Name: 2-[6-azanyl-2-[2-(4-nitrophenyl)ethyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[2-(4-nitrophenyl)ethyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[2-(4-nitrophenyl)ethyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[2-(4-nitrophenyl)ethyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[2-(4-nitrophenyl)ethyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H20N6O6 MolecularWeight: 416.388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O6/c19-16-13-17(23(8-20-13)18-15(27)14(26)11(7-25)30-18)22-12(21-16)6-3-9-1-4-10(5-2-9)24(28)29/h1-2,4-5,8,11,14-15,18,25-27H,3,6-7H2,(H2,19,21,22)