(2R,3R,4S,5R)-2-[6-azanyl-1-[(2-nitrophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-1-[(2-nitrophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Openeye Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2-nitrophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol perchlorate CAS Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2-nitrophenyl)methoxy]-9-purin-1-iumyl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2-nitrophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Traditional Name: (2R,3R,4S,5R)-2-[6-amino-1-(2-nitrobenzyl)oxy-purin-1-ium-9-yl]-5-methylol-tetrahydrofuran-3,4-diol perchlorate Formula: C17H19ClN6O11 MolecularWeight: 518.81936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO[N+]2=C(C3=C(N=C2)N(C=N3)C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C(=C1)CO[N+]2=C(C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H18N6O7.ClHO4/c18-15-12-16(21(7-19-12)17-14(26)13(25)11(5-24)30-17)20-8-22(15)29-6-9-3-1-2-4-10(9)23(27)28;2-1(3,4)5/h1-4,7-8,11,13-14,17-18,24-26H,5-6H2;(H,2,3,4,5)/t11-,13-,14-,17-;/m1./s1