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

Systemtic Name: (2R,3R,4S,5R)-2-[6-azanyl-1-[(2-methoxyphenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Openeye Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2-methoxyphenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol perchlorate CAS Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2-methoxyphenyl)methoxy]-9-purin-1-iumyl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-1-[(2-methoxyphenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol perchlorate Traditional Name: (2R,3R,4S,5R)-2-(6-amino-1-o-anisyloxy-purin-1-ium-9-yl)-5-methylol-tetrahydrofuran-3,4-diol perchlorate Formula: C18H22ClN5O10 MolecularWeight: 503.84778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CO[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

COC1=CC=CC=C1CO[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/C18H21N5O6.ClHO4/c1-27-11-5-3-2-4-10(11)7-28-23-9-21-17-13(16(23)19)20-8-22(17)18-15(26)14(25)12(6-24)29-18;2-1(3,4)5/h2-5,8-9,12,14-15,18-19,24-26H,6-7H2,1H3;(H,2,3,4,5)/t12-,14-,15-,18-;/m1./s1