1-[6-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-9-ium-9-yl]ethanone

Systemtic Name: 1-[6-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-9-ium-9-yl]ethanone Openeye Name: 1-[6-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-9-ium-9-yl]ethanone CAS Name: 1-[6-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-9-purin-9-iumyl]ethanone IUPAC Name: 1-[6-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-9-ium-9-yl]ethanone Traditional Name: 1-[6-amino-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-9-ium-9-yl]ethanone Formula: C12H16N5O4+ MolecularWeight: 294.28654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(C=NC2=C(N=CN=C21)N)C3CC(C(O3)CO)O

Isomeric SMILES

CC(=O)[N+]1(C=NC2=C(N=CN=C21)N)C3CC(C(O3)CO)O

InChI

InChI=1S/C12H16N5O4/c1-6(19)17(9-2-7(20)8(3-18)21-9)5-16-10-11(13)14-4-15-12(10)17/h4-5,7-9,18,20H,2-3H2,1H3,(H2,13,14,15)/q+1