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

Systemtic Name: 1-[6-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-9-ium-9-yl]pentan-1-one Openeye Name: 1-[6-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-9-ium-9-yl]pentan-1-one CAS Name: 1-[6-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-9-purin-9-iumyl]-1-pentanone IUPAC Name: 1-[6-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-9-ium-9-yl]pentan-1-one Traditional Name: 1-[6-amino-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-9-ium-9-yl]pentan-1-one Formula: C15H22N5O4+ MolecularWeight: 336.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N5O4/c1-2-3-4-11(23)20(12-5-9(22)10(6-21)24-12)8-19-13-14(16)17-7-18-15(13)20/h7-10,12,21-22H,2-6H2,1H3,(H2,16,17,18)/q+1