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

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-1-[[2,6-bis(fluoranyl)phenyl]methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Openeye Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2,6-difluorophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol perchlorate CAS Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2,6-difluorophenyl)methoxy]-9-purin-1-iumyl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2,6-difluorophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Traditional Name: (2R,3R,4S,5R)-2-[6-amino-1-(2,6-difluorobenzyl)oxy-purin-1-ium-9-yl]-5-methylol-tetrahydrofuran-3,4-diol perchlorate Formula: C17H18ClF2N5O9 MolecularWeight: 509.802726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C(=C1)F)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)F.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H17F2N5O5.ClHO4/c18-9-2-1-3-10(19)8(9)5-28-24-7-22-16-12(15(24)20)21-6-23(16)17-14(27)13(26)11(4-25)29-17;2-1(3,4)5/h1-3,6-7,11,13-14,17,20,25-27H,4-5H2;(H,2,3,4,5)/t11-,13-,14-,17-;/m1./s1