2-[6-azanyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[2-(1-methyl-2-pyridin-1-iumyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[2-(1-methylpyridin-1-ium-2-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H24N7O4+ MolecularWeight: 402.42766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C[N+]1=CC=CC=C1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H24N7O4/c1-24-7-3-2-4-10(24)5-6-20-18-22-15(19)12-16(23-18)25(9-21-12)17-14(28)13(27)11(8-26)29-17/h2-4,7,9,11,13-14,17,26-28H,5-6,8H2,1H3,(H3,19,20,22,23)/q+1