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

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-1-[(3-chlorophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Openeye Name: (2R,3R,4S,5R)-2-[6-amino-1-[(3-chlorophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol perchlorate CAS Name: (2R,3R,4S,5R)-2-[6-amino-1-[(3-chlorophenyl)methoxy]-9-purin-1-iumyl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-1-[(3-chlorophenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Traditional Name: (2R,3R,4S,5R)-2-[6-amino-1-(3-chlorobenzyl)oxy-purin-1-ium-9-yl]-5-methylol-tetrahydrofuran-3,4-diol perchlorate Formula: C17H19Cl2N5O9 MolecularWeight: 508.26686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O5.ClHO4/c18-10-3-1-2-9(4-10)6-27-23-8-21-16-12(15(23)19)20-7-22(16)17-14(26)13(25)11(5-24)28-17;2-1(3,4)5/h1-4,7-8,11,13-14,17,19,24-26H,5-6H2;(H,2,3,4,5)/t11-,13-,14-,17-;/m1./s1