2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-9-methyl-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-9-methyl-3H-purin-9-ium-6-one Openeye Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-9-methyl-3H-purin-9-ium-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9-methyl-3H-purin-9-ium-6-one Traditional Name: 2-amino-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-9-methyl-3H-purin-9-ium-6-one Formula: C11H16N5O4+ MolecularWeight: 282.27584

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NC2=C1NC(=NC2=O)N)C3CC(C(O3)CO)O

Isomeric SMILES

C[N+]1(C=NC2=C1NC(=NC2=O)N)C3CC(C(O3)CO)O

InChI

InChI=1S/C11H15N5O4/c1-16(7-2-5(18)6(3-17)20-7)4-13-8-9(16)14-11(12)15-10(8)19/h4-7,17-18H,2-3H2,1H3,(H2-,12,14,15,19)/p+1