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

Systemtic Name: 2-azanyl-9,9-bis[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-9-ium-6-one Openeye Name: 2-amino-9,9-bis[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-9-ium-6-one CAS Name: 2-amino-9,9-bis[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-9-ium-6-one IUPAC Name: 2-amino-9,9-bis[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-9-ium-6-one Traditional Name: 2-amino-9,9-bis(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-9-ium-6-one Formula: C15H22N5O9+ MolecularWeight: 416.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C([N+]1(C3C(C(C(O3)CO)O)O)C4C(C(C(O4)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C([N+]1(C3C(C(C(O3)CO)O)O)C4C(C(C(O4)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C15H21N5O9/c16-15-18-11-6(12(27)19-15)17-3-20(11,13-9(25)7(23)4(1-21)28-13)14-10(26)8(24)5(2-22)29-14/h3-5,7-10,13-14,21-26H,1-2H2,(H2-,16,18,19,27)/p+1