2-azanyl-7-(2-hydroxyethyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-9-ium-6-olate

Systemtic Name: 2-azanyl-7-(2-hydroxyethyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-9-ium-6-olate Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-(2-hydroxyethyl)purin-9-ium-6-olate CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-(2-hydroxyethyl)-6-purin-9-iumolate IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(2-hydroxyethyl)purin-9-ium-6-olate Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-7-(2-hydroxyethyl)purin-9-ium-6-olate Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1CCO)C(=NC(=N2)N)[O-])C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=[N+](C2=C(N1CCO)C(=NC(=N2)N)[O-])C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C12H17N5O6/c13-12-14-9-6(10(22)15-12)16(1-2-18)4-17(9)11-8(21)7(20)5(3-19)23-11/h4-5,7-8,11,18-21H,1-3H2,(H2-,13,14,15,22)