[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-methoxy-purin-1-ium-6-yl]cyanamide

Systemtic Name: [9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-methoxy-purin-1-ium-6-yl]cyanamide Openeye Name: [9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methoxy-purin-1-ium-6-yl]cyanamide CAS Name: [9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methoxy-6-purin-1-iumyl]cyanamide IUPAC Name: [9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methoxypurin-1-ium-6-yl]cyanamide Traditional Name: [9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1-methoxy-purin-1-ium-6-yl]cyanamide Formula: C12H15N6O4+ MolecularWeight: 310.265527

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=C(C2=C(N=C1)N(C=N2)C3CC(C(O3)CO)O)NC#N

Isomeric SMILES

CO[N+]1=C(C2=C(N=C1)N(C=[15N]2)[C@H]3C[C@@H]([C@H](O3)CO)O)[15NH]C#[15N]

InChI

InChI=1S/C12H14N6O4/c1-21-18-6-16-11-10(12(18)14-4-13)15-5-17(11)9-2-7(20)8(3-19)22-9/h5-9,19-20H,2-3H2,1H3/p+1/t7-,8+,9+/m0/s1/i13+1,14+1,15+1