2-azanyl-9-[(2R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-9-[(2R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one Openeye Name: 2-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-methyl-3H-purin-9-ium-6-one IUPAC Name: 2-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one Traditional Name: 2-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-7-methyl-3H-purin-9-ium-6-one Formula: C11H16N5O5+ MolecularWeight: 298.27524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6+,7?,10-/m1/s1