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

Systemtic Name: 2-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[(4-nitrophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[(4-nitrobenzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H18N6O6S MolecularWeight: 434.42642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6S/c18-14-11-15(22(7-19-11)16-13(26)12(25)10(5-24)29-16)21-17(20-14)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)