(2R,3R,4S,5R)-2-(2-azanyl-1,7-dimethyl-6-oxidanylidene-purin-9-ium-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate

Systemtic Name: (2R,3R,4S,5R)-2-(2-azanyl-1,7-dimethyl-6-oxidanylidene-purin-9-ium-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate Openeye Name: (2R,3R,4S,5R)-2-(2-amino-1,7-dimethyl-6-oxo-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate CAS Name: (2R,3R,4S,5R)-2-(2-amino-1,7-dimethyl-6-oxo-9-purin-9-iumyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanolate IUPAC Name: (2R,3R,4S,5R)-2-(2-amino-1,7-dimethyl-6-oxopurin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate Traditional Name: (2R,3R,4S,5R)-2-(2-amino-6-keto-1,7-dimethyl-purin-9-ium-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-olate Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=N2)N)C)C3C(C(C(O3)CO)O)[O-]

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=N2)N)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)[O-]

InChI

InChI=1S/C12H17N5O5/c1-15-4-17(11-8(20)7(19)5(3-18)22-11)9-6(15)10(21)16(2)12(13)14-9/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,14)/t5-,7-,8-,11-/m1/s1